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

C20H35N7O — CID 110041106

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
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C20H35N7O/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)
InChIKeyUHIIOMOYKWCMAQ-UHFFFAOYSA-N
MW389.55 g/mol
LogP1.36
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

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 (PubChem CID 110041106) has the molecular formula C20H35N7O and a molecular weight of 389.55 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.

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
PubChem CID110041106
Molecular FormulaC20H35N7O
Molecular Weight389.55 g/mol
Exact Mass389.29
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
SMILESCCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)CC2
InChIInChI=1S/C20H35N7O/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)
InChIKeyUHIIOMOYKWCMAQ-UHFFFAOYSA-N
XLogP1.36
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 51.36
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'}

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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?
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 (CID 110041106) 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.
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?
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 is CCc1nc2n(n1)CC(N/C(=N/CC(=O)N(C)C)NC1CCCCC1C)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-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UHIIOMOYKWCMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O/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).
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?
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 has a molecular weight of 389.55 g/mol, XLogP of 1.36, 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 is sourced from PubChem (CID 110041106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).