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

C16H29N7O2 — CID 110041092

IUPAC2-[[[(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
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCOC)CC2
InChIInChI=1S/C16H29N7O2/c1-5-13-20-14-7-6-12(11-23(14)21-13)19-16(17-8-9-25-4)18-10-15(24)22(2)3/h12H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyCAWRYPJMVFZICL-UHFFFAOYSA-N
MW351.46 g/mol
LogP-0.57
Rot. Bonds7

About 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

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 (PubChem CID 110041092) has the molecular formula C16H29N7O2 and a molecular weight of 351.46 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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(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
PubChem CID110041092
Molecular FormulaC16H29N7O2
Molecular Weight351.46 g/mol
Exact Mass351.24
IUPAC Name2-[[[(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
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCOC)CC2
InChIInChI=1S/C16H29N7O2/c1-5-13-20-14-7-6-12(11-23(14)21-13)19-16(17-8-9-25-4)18-10-15(24)22(2)3/h12H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyCAWRYPJMVFZICL-UHFFFAOYSA-N
XLogP-0.57
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-[[(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
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
2-[[[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046753
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-[[[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046735
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-[[[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046734
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
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
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-[[(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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 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) is 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.
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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 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 is CCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NCCOC)CC2.
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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is CAWRYPJMVFZICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O2/c1-5-13-20-14-7-6-12(11-23(14)21-13)19-16(17-8-9-25-4)18-10-15(24)22(2)3/h12H,5-11H2,1-4H3,(H2,17,18,19).
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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
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 has a molecular weight of 351.46 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110041092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).