2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C20H36IN7O — CID 110041105

IUPAC2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2.I
InChIInChI=1S/C20H35N7O.HI/c1-5-17-24-18-11-10-15(13-27(18)25-17)22-20(21-12-19(28)26(3)4)23-16-9-7-6-8-14(16)2;/h14-16H,5-13H2,1-4H3,(H2,21,22,23);1H
InChIKeyHYMGLZKUGMLWNC-UHFFFAOYSA-N
MW517.46 g/mol
LogP1.98
Rot. Bonds5

About 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110041105) has the molecular formula C20H36IN7O and a molecular weight of 517.46 g/mol. Its IUPAC name is 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110041105
Molecular FormulaC20H36IN7O
Molecular Weight517.46 g/mol
Exact Mass517.20
IUPAC Name2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2.I
InChIInChI=1S/C20H35N7O.HI/c1-5-17-24-18-11-10-15(13-27(18)25-17)22-20(21-12-19(28)26(3)4)23-16-9-7-6-8-14(16)2;/h14-16H,5-13H2,1-4H3,(H2,21,22,23);1H
InChIKeyHYMGLZKUGMLWNC-UHFFFAOYSA-N
XLogP1.98
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide with MolForge

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Related Compounds

2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041091
2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041092
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041053
2-[[ethylamino-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041145
2-[[(butan-2-ylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040841
2-[[[(1-ethylsulfonylpiperidin-4-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039052
2-[[(cyclohexylmethylamino)-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041157
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110040805
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
2-[[(3-ethoxypropylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040830
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110040324
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040789

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110041105) is 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2.I.
What is the InChIKey of 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is HYMGLZKUGMLWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O.HI/c1-5-17-24-18-11-10-15(13-27(18)25-17)22-20(21-12-19(28)26(3)4)23-16-9-7-6-8-14(16)2;/h14-16H,5-13H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 517.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110041105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).