1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine

C10H14N6 — CID 25248737

IUPAC1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
SMILESCn1cc(N)c(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C10H14N6/c1-15-6-7(11)9(14-15)10-13-12-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyWHLULEUNFKYIGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine

1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine (PubChem CID 25248737) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
PubChem CID25248737
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
SMILESCn1cc(N)c(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C10H14N6/c1-15-6-7(11)9(14-15)10-13-12-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3
InChIKeyWHLULEUNFKYIGQ-UHFFFAOYSA-N
XLogP0.60
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine (CID 25248737) is 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine is Cn1cc(N)c(-c2nnc3n2CCCC3)n1.
What is the InChIKey of 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The InChIKey is WHLULEUNFKYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15-6-7(11)9(14-15)10-13-12-8-4-2-3-5-16(8)10/h6H,2-5,11H2,1H3.
What are the key properties of 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine is sourced from PubChem (CID 25248737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).