(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine

C6H10N4 — CID 50988415

IUPAC(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nncn1C1CC1
InChIInChI=1S/C6H10N4/c7-3-6-9-8-4-10(6)5-1-2-5/h4-5H,1-3,7H2
InChIKeyFDZAZLVLKYQZNG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.07
Rot. Bonds2

About (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine

(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 50988415) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
PubChem CID50988415
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nncn1C1CC1
InChIInChI=1S/C6H10N4/c7-3-6-9-8-4-10(6)5-1-2-5/h4-5H,1-3,7H2
InChIKeyFDZAZLVLKYQZNG-UHFFFAOYSA-N
XLogP0.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine (CID 50988415) is (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine is NCc1nncn1C1CC1.
What is the InChIKey of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is FDZAZLVLKYQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-3-6-9-8-4-10(6)5-1-2-5/h4-5H,1-3,7H2.
What are the key properties of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 138.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 50988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).