N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H13N7 — CID 113245589

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1cnn(CCNc2nccn3cnnc23)c1
InChIInChI=1S/C11H13N7/c1-9-6-15-18(7-9)5-3-13-10-11-16-14-8-17(11)4-2-12-10/h2,4,6-8H,3,5H2,1H3,(H,12,13)
InChIKeyVTAMHOUWRPDMJR-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.74
Rot. Bonds4

About N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113245589) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113245589
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1cnn(CCNc2nccn3cnnc23)c1
InChIInChI=1S/C11H13N7/c1-9-6-15-18(7-9)5-3-13-10-11-16-14-8-17(11)4-2-12-10/h2,4,6-8H,3,5H2,1H3,(H,12,13)
InChIKeyVTAMHOUWRPDMJR-UHFFFAOYSA-N
XLogP0.74
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113245589) is N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1cnn(CCNc2nccn3cnnc23)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is VTAMHOUWRPDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-9-6-15-18(7-9)5-3-13-10-11-16-14-8-17(11)4-2-12-10/h2,4,6-8H,3,5H2,1H3,(H,12,13).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 243.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113245589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).