2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide

C18H31N5O2 — CID 131652679

IUPAC2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(CC2CCCCC2)Cc2nnn(C)c21
InChIInChI=1S/C18H31N5O2/c1-21(2)17(24)13-25-12-15-10-23(9-14-7-5-4-6-8-14)11-16-18(15)22(3)20-19-16/h14-15H,4-13H2,1-3H3
InChIKeyYMMPKQSTQAFFIL-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.40
Rot. Bonds6

About 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide

2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 131652679) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
PubChem CID131652679
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(CC2CCCCC2)Cc2nnn(C)c21
InChIInChI=1S/C18H31N5O2/c1-21(2)17(24)13-25-12-15-10-23(9-14-7-5-4-6-8-14)11-16-18(15)22(3)20-19-16/h14-15H,4-13H2,1-3H3
InChIKeyYMMPKQSTQAFFIL-UHFFFAOYSA-N
XLogP1.40
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide (CID 131652679) is 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC1CN(CC2CCCCC2)Cc2nnn(C)c21.
What is the InChIKey of 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is YMMPKQSTQAFFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-21(2)17(24)13-25-12-15-10-23(9-14-7-5-4-6-8-14)11-16-18(15)22(3)20-19-16/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 349.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131652679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).