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

C12H13ClN6 — CID 106048230

IUPAC6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1c(CNc2nc3ccc(Cl)cn3n2)cnn1C
InChIInChI=1S/C12H13ClN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyYCQPSLGDTMSBSL-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.04
Rot. Bonds3

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

6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106048230) has the molecular formula C12H13ClN6 and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106048230
Molecular FormulaC12H13ClN6
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1c(CNc2nc3ccc(Cl)cn3n2)cnn1C
InChIInChI=1S/C12H13ClN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyYCQPSLGDTMSBSL-UHFFFAOYSA-N
XLogP2.04
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 103934019
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859261

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106048230) is 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1c(CNc2nc3ccc(Cl)cn3n2)cnn1C.
What is the InChIKey of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YCQPSLGDTMSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17).
What are the key properties of 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 276.73 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106048230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).