2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine

C12H17ClN4 — CID 116990174

IUPAC2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1nc2ccc(Cl)cn2n1)C(C)C
InChIInChI=1S/C12H17ClN4/c1-8(2)10(6-14-3)12-15-11-5-4-9(13)7-17(11)16-12/h4-5,7-8,10,14H,6H2,1-3H3
InChIKeyICMAEYOZYPRPIZ-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.34
Rot. Bonds4

About 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine

2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 116990174) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID116990174
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1nc2ccc(Cl)cn2n1)C(C)C
InChIInChI=1S/C12H17ClN4/c1-8(2)10(6-14-3)12-15-11-5-4-9(13)7-17(11)16-12/h4-5,7-8,10,14H,6H2,1-3H3
InChIKeyICMAEYOZYPRPIZ-UHFFFAOYSA-N
XLogP2.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine
CID 116990173
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114131249
1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
CID 116990158
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline
CID 116990105
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106282899
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine (CID 116990174) is 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine is CNCC(c1nc2ccc(Cl)cn2n1)C(C)C.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is ICMAEYOZYPRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-8(2)10(6-14-3)12-15-11-5-4-9(13)7-17(11)16-12/h4-5,7-8,10,14H,6H2,1-3H3.
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine?
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 252.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116990174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).