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

C15H28N4 — CID 112593130

IUPAC(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCCCCCCc1nnc(CN)n1C1CC1
InChIInChI=1S/C15H28N4/c1-2-3-4-5-6-7-8-9-14-17-18-15(12-16)19(14)13-10-11-13/h13H,2-12,16H2,1H3
InChIKeyGOBMJVNNSAMALB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.36
Rot. Bonds10

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

(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112593130) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112593130
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCCCCCCc1nnc(CN)n1C1CC1
InChIInChI=1S/C15H28N4/c1-2-3-4-5-6-7-8-9-14-17-18-15(12-16)19(14)13-10-11-13/h13H,2-12,16H2,1H3
InChIKeyGOBMJVNNSAMALB-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine (CID 112593130) is (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine is CCCCCCCCCc1nnc(CN)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is GOBMJVNNSAMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-3-4-5-6-7-8-9-14-17-18-15(12-16)19(14)13-10-11-13/h13H,2-12,16H2,1H3.
What are the key properties of (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine?
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112593130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).