6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C8H9ClN4O — CID 39080103

IUPAC6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOCc1nnc2c(N)cc(Cl)cn12
InChIInChI=1S/C8H9ClN4O/c1-14-4-7-11-12-8-6(10)2-5(9)3-13(7)8/h2-3H,4,10H2,1H3
InChIKeyKILMVXKJUMDHSJ-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.11
Rot. Bonds2

About 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080103) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080103
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCOCc1nnc2c(N)cc(Cl)cn12
InChIInChI=1S/C8H9ClN4O/c1-14-4-7-11-12-8-6(10)2-5(9)3-13(7)8/h2-3H,4,10H2,1H3
InChIKeyKILMVXKJUMDHSJ-UHFFFAOYSA-N
XLogP1.11
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
6-chloro-3-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080062
6-chloro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080069
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370745
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
6-chloro-3-[(E)-2-phenylethenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080115
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
methyl 2-(8-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)acetate
CID 82059445
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080103) is 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is COCc1nnc2c(N)cc(Cl)cn12.
What is the InChIKey of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is KILMVXKJUMDHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-14-4-7-11-12-8-6(10)2-5(9)3-13(7)8/h2-3H,4,10H2,1H3.
What are the key properties of 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 212.64 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).