5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine

C11H13N5 — CID 79547309

IUPAC5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine
SMILESNc1nnn(Cc2ccncc2)c1C1CC1
InChIInChI=1S/C11H13N5/c12-11-10(9-1-2-9)16(15-14-11)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2
InChIKeyFYZMLSZKYCFPCM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.18
Rot. Bonds3

About 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine

5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine (PubChem CID 79547309) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine
PubChem CID79547309
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine
SMILESNc1nnn(Cc2ccncc2)c1C1CC1
InChIInChI=1S/C11H13N5/c12-11-10(9-1-2-9)16(15-14-11)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2
InChIKeyFYZMLSZKYCFPCM-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine (CID 79547309) is 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine is Nc1nnn(Cc2ccncc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine?
The InChIKey is FYZMLSZKYCFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-11-10(9-1-2-9)16(15-14-11)7-8-3-5-13-6-4-8/h3-6,9H,1-2,7,12H2.
What are the key properties of 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine?
5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).