3-piperazin-1-yl-1H-1,2,4-triazol-5-amine

C6H12N6 — CID 14450378

IUPAC3-piperazin-1-yl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H12N6/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H3,7,9,10,11)
InChIKeyWTMVZCCVRIVQJL-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.20
Rot. Bonds1

About 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine

3-piperazin-1-yl-1H-1,2,4-triazol-5-amine (PubChem CID 14450378) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-1,2,4-triazol-5-amine
PubChem CID14450378
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name3-piperazin-1-yl-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C6H12N6/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H3,7,9,10,11)
InChIKeyWTMVZCCVRIVQJL-UHFFFAOYSA-N
XLogP-1.20
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine (CID 14450378) is 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCNCC2)n[nH]1.
What is the InChIKey of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is WTMVZCCVRIVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c7-5-9-6(11-10-5)12-3-1-8-2-4-12/h8H,1-4H2,(H3,7,9,10,11).
What are the key properties of 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine?
3-piperazin-1-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 168.20 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 14450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).