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

C13H22N4 — CID 112593244

IUPAC(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nnc(C2CCCCCC2)n1C1CC1
InChIInChI=1S/C13H22N4/c14-9-12-15-16-13(17(12)11-7-8-11)10-5-3-1-2-4-6-10/h10-11H,1-9,14H2
InChIKeySLQQIPDHWGVLMJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.51
Rot. Bonds3

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

(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112593244) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112593244
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1nnc(C2CCCCCC2)n1C1CC1
InChIInChI=1S/C13H22N4/c14-9-12-15-16-13(17(12)11-7-8-11)10-5-3-1-2-4-6-10/h10-11H,1-9,14H2
InChIKeySLQQIPDHWGVLMJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine (CID 112593244) is (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine is NCc1nnc(C2CCCCCC2)n1C1CC1.
What is the InChIKey of (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is SLQQIPDHWGVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c14-9-12-15-16-13(17(12)11-7-8-11)10-5-3-1-2-4-6-10/h10-11H,1-9,14H2.
What are the key properties of (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine?
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112593244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).