3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine

C7H13N5 — CID 66275796

IUPAC3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCCC2)n[nH]1
InChIInChI=1S/C7H13N5/c8-6-10-7(12-11-6)9-5-3-1-2-4-5/h5H,1-4H2,(H4,8,9,10,11,12)
InChIKeyZNNJFEXRMDJLTA-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.74
Rot. Bonds2

About 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine

3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275796) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275796
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCCC2)n[nH]1
InChIInChI=1S/C7H13N5/c8-6-10-7(12-11-6)9-5-3-1-2-4-5/h5H,1-4H2,(H4,8,9,10,11,12)
InChIKeyZNNJFEXRMDJLTA-UHFFFAOYSA-N
XLogP0.74
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine (CID 66275796) is 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NC2CCCC2)n[nH]1.
What is the InChIKey of 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is ZNNJFEXRMDJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-6-10-7(12-11-6)9-5-3-1-2-4-5/h5H,1-4H2,(H4,8,9,10,11,12).
What are the key properties of 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine?
3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).