4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine

C11H15ClN4O — CID 18629214

IUPAC4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
SMILESCCC(COC)n1nnc2c(Cl)nc(C)cc21
InChIInChI=1S/C11H15ClN4O/c1-4-8(6-17-3)16-9-5-7(2)13-11(12)10(9)14-15-16/h5,8H,4,6H2,1-3H3
InChIKeyPFRHCLYHUKGRDC-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine

4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine (PubChem CID 18629214) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
PubChem CID18629214
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
SMILESCCC(COC)n1nnc2c(Cl)nc(C)cc21
InChIInChI=1S/C11H15ClN4O/c1-4-8(6-17-3)16-9-5-7(2)13-11(12)10(9)14-15-16/h5,8H,4,6H2,1-3H3
InChIKeyPFRHCLYHUKGRDC-UHFFFAOYSA-N
XLogP2.39
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70024309
8-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70026941
6-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-8-methyl-3,4-dihydro-2H-quinoline
CID 70104506
4-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 12050981
5-bromo-4-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 57265244
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
CID 70101713
4-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 57103017
5-chloro-1-(1-methoxybutan-2-yl)-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
CID 11346600
7-chloro-1-[1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 57194734
N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
CID 12051985
8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 18629237
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 70285979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine (CID 18629214) is 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine is CCC(COC)n1nnc2c(Cl)nc(C)cc21.
What is the InChIKey of 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine?
The InChIKey is PFRHCLYHUKGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-4-8(6-17-3)16-9-5-7(2)13-11(12)10(9)14-15-16/h5,8H,4,6H2,1-3H3.
What are the key properties of 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine?
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine has a molecular weight of 254.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 18629214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).