6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile

C17H17N5O — CID 70958475

IUPAC6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cc(-c2cc3c(nnn3C)c(C#N)n2)ccc1CCCO
InChIInChI=1S/C17H17N5O/c1-11-8-13(6-5-12(11)4-3-7-23)14-9-16-17(15(10-18)19-14)20-21-22(16)2/h5-6,8-9,23H,3-4,7H2,1-2H3
InChIKeyLPEYWXDRPOWSCE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.14
Rot. Bonds4

About 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile

6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile (PubChem CID 70958475) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
PubChem CID70958475
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cc(-c2cc3c(nnn3C)c(C#N)n2)ccc1CCCO
InChIInChI=1S/C17H17N5O/c1-11-8-13(6-5-12(11)4-3-7-23)14-9-16-17(15(10-18)19-14)20-21-22(16)2/h5-6,8-9,23H,3-4,7H2,1-2H3
InChIKeyLPEYWXDRPOWSCE-UHFFFAOYSA-N
XLogP2.14
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 70958584
1-methyl-6-[3-methyl-4-(3-oxopropyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 89137086
1-methyl-6-[4-(3-oxopropyl)-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 86673358
2-[3-[4-(4-cyano-1-methyltriazolo[4,5-c]pyridin-6-yl)-2-methylphenoxy]propyl-methylamino]-N,N-dimethylacetamide;hydrochloride
CID 158302674
2-[3-[4-(4-cyano-1-methyltriazolo[4,5-c]pyridin-6-yl)-2-methylphenoxy]propylamino]-N,N-dimethylacetamide
CID 70958546
6-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]ethoxy]-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
CID 70958401
2-[4-(4-cyano-1-methyltriazolo[4,5-c]pyridin-6-yl)-2-methylphenoxy]ethyl methanesulfonate
CID 89137077
6-[4-[2-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
CID 53329698
N,N-diethylethanamine;methanesulfonyl chloride;1-methyl-6-[3-methyl-4-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[3-methyl-4-(2-piperidin-4-ylethoxy)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 159579788
1-methyl-6-[4-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 53329870
1-methyl-6-[4-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 67298894
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile (CID 70958475) is 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile is Cc1cc(-c2cc3c(nnn3C)c(C#N)n2)ccc1CCCO.
What is the InChIKey of 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is LPEYWXDRPOWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-8-13(6-5-12(11)4-3-7-23)14-9-16-17(15(10-18)19-14)20-21-22(16)2/h5-6,8-9,23H,3-4,7H2,1-2H3.
What are the key properties of 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile?
6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-hydroxypropyl)-3-methylphenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 70958475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).