5-cycloheptyl-2H-triazol-4-amine

C9H16N4 — CID 105439081

IUPAC5-cycloheptyl-2H-triazol-4-amine
SMILESNc1n[nH]nc1C1CCCCCC1
InChIInChI=1S/C9H16N4/c10-9-8(11-13-12-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,10,11,12,13)
InChIKeyBVWYOSQUORPARQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.82
Rot. Bonds1

About 5-cycloheptyl-2H-triazol-4-amine

5-cycloheptyl-2H-triazol-4-amine (PubChem CID 105439081) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cycloheptyl-2H-triazol-4-amine.

Molecular Properties

Compound Name5-cycloheptyl-2H-triazol-4-amine
PubChem CID105439081
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-cycloheptyl-2H-triazol-4-amine
SMILESNc1n[nH]nc1C1CCCCCC1
InChIInChI=1S/C9H16N4/c10-9-8(11-13-12-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,10,11,12,13)
InChIKeyBVWYOSQUORPARQ-UHFFFAOYSA-N
XLogP1.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-2H-triazol-4-amine?
The IUPAC name of 5-cycloheptyl-2H-triazol-4-amine (CID 105439081) is 5-cycloheptyl-2H-triazol-4-amine.
What is the SMILES notation for 5-cycloheptyl-2H-triazol-4-amine?
The canonical SMILES for 5-cycloheptyl-2H-triazol-4-amine is Nc1n[nH]nc1C1CCCCCC1.
What is the InChIKey of 5-cycloheptyl-2H-triazol-4-amine?
The InChIKey is BVWYOSQUORPARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9-8(11-13-12-9)7-5-3-1-2-4-6-7/h7H,1-6H2,(H3,10,11,12,13).
What are the key properties of 5-cycloheptyl-2H-triazol-4-amine?
5-cycloheptyl-2H-triazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-2H-triazol-4-amine is sourced from PubChem (CID 105439081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).