(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine

C9H14N4 — CID 75480611

IUPAC(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C9H14N4/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7/h6-7H,1-5,10H2
InChIKeyRJYISRFFNVECTQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.95
Rot. Bonds3

About (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine

(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 75480611) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine
PubChem CID75480611
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C9H14N4/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7/h6-7H,1-5,10H2
InChIKeyRJYISRFFNVECTQ-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine (CID 75480611) is (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine is NCc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is RJYISRFFNVECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7/h6-7H,1-5,10H2.
What are the key properties of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine?
(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 178.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 75480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).