5-cyclopropyl-1-dodecyltriazol-4-amine

C17H32N4 — CID 79537394

IUPAC5-cyclopropyl-1-dodecyltriazol-4-amine
SMILESCCCCCCCCCCCCn1nnc(N)c1C1CC1
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-14-21-16(15-12-13-15)17(18)19-20-21/h15H,2-14,18H2,1H3
InChIKeyLTKLJRGOOSNOOM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.66
Rot. Bonds12

About 5-cyclopropyl-1-dodecyltriazol-4-amine

5-cyclopropyl-1-dodecyltriazol-4-amine (PubChem CID 79537394) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-cyclopropyl-1-dodecyltriazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-dodecyltriazol-4-amine
PubChem CID79537394
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name5-cyclopropyl-1-dodecyltriazol-4-amine
SMILESCCCCCCCCCCCCn1nnc(N)c1C1CC1
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-14-21-16(15-12-13-15)17(18)19-20-21/h15H,2-14,18H2,1H3
InChIKeyLTKLJRGOOSNOOM-UHFFFAOYSA-N
XLogP4.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.66
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 5-cyclopropyl-1-dodecyltriazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-dodecyltriazol-4-amine (CID 79537394) is 5-cyclopropyl-1-dodecyltriazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-dodecyltriazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-dodecyltriazol-4-amine is CCCCCCCCCCCCn1nnc(N)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-dodecyltriazol-4-amine?
The InChIKey is LTKLJRGOOSNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-14-21-16(15-12-13-15)17(18)19-20-21/h15H,2-14,18H2,1H3.
What are the key properties of 5-cyclopropyl-1-dodecyltriazol-4-amine?
5-cyclopropyl-1-dodecyltriazol-4-amine has a molecular weight of 292.47 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-dodecyltriazol-4-amine is sourced from PubChem (CID 79537394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).