3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol

C17H21ClN4O — CID 146140698

IUPAC3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCC1CC(n2nnc3c2CN(Cc2cc(O)cc(Cl)c2)CC3)C1
InChIInChI=1S/C17H21ClN4O/c1-11-4-14(5-11)22-17-10-21(3-2-16(17)19-20-22)9-12-6-13(18)8-15(23)7-12/h6-8,11,14,23H,2-5,9-10H2,1H3
InChIKeyWOUWYZRVXBZJHV-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol

3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol (PubChem CID 146140698) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol
PubChem CID146140698
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCC1CC(n2nnc3c2CN(Cc2cc(O)cc(Cl)c2)CC3)C1
InChIInChI=1S/C17H21ClN4O/c1-11-4-14(5-11)22-17-10-21(3-2-16(17)19-20-22)9-12-6-13(18)8-15(23)7-12/h6-8,11,14,23H,2-5,9-10H2,1H3
InChIKeyWOUWYZRVXBZJHV-UHFFFAOYSA-N
XLogP3.17
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol with MolForge

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Related Compounds

1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile
CID 166433916
2-[(3-chloro-5-hydroxyphenyl)methyl]-6-fluoro-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 146097115
1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine
CID 134241853
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
3-(3-methylcyclobutyl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
CID 166279969
1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
CID 11959623
2-cyclohexyl-6-[(3,5-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918520
4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
CID 118657687
7-[(3,5-dihydroxyphenyl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865222
1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
1-[(3,5-dichlorophenyl)methyl]-1,4-diazepane
CID 61058216
1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 114453810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol?
The IUPAC name of 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol (CID 146140698) is 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol.
What is the SMILES notation for 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol?
The canonical SMILES for 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol is CC1CC(n2nnc3c2CN(Cc2cc(O)cc(Cl)c2)CC3)C1.
What is the InChIKey of 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol?
The InChIKey is WOUWYZRVXBZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-4-14(5-11)22-17-10-21(3-2-16(17)19-20-22)9-12-6-13(18)8-15(23)7-12/h6-8,11,14,23H,2-5,9-10H2,1H3.
What are the key properties of 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol?
3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol has a molecular weight of 332.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]phenol is sourced from PubChem (CID 146140698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).