3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

C11H13N7 — CID 68781299

IUPAC3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(NCCn3cncn3)c12
InChIInChI=1S/C11H13N7/c1-8-10-9(17-16-8)2-3-13-11(10)14-4-5-18-7-12-6-15-18/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,16,17)
InChIKeyZYFMQOASQGQPTH-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 68781299) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID68781299
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(NCCn3cncn3)c12
InChIInChI=1S/C11H13N7/c1-8-10-9(17-16-8)2-3-13-11(10)14-4-5-18-7-12-6-15-18/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,16,17)
InChIKeyZYFMQOASQGQPTH-UHFFFAOYSA-N
XLogP0.97
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 68781299) is 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccnc(NCCn3cncn3)c12.
What is the InChIKey of 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is ZYFMQOASQGQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-8-10-9(17-16-8)2-3-13-11(10)14-4-5-18-7-12-6-15-18/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 68781299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).