3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

C12H16N6 — CID 2764704

IUPAC3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C12H16N6/c13-11-14-12(16-15-11)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,16)
InChIKeySTQNVQCAZDATSS-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.71
Rot. Bonds2

About 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 2764704) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID2764704
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C12H16N6/c13-11-14-12(16-15-11)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,16)
InChIKeySTQNVQCAZDATSS-UHFFFAOYSA-N
XLogP0.71
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N5-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 76819
Benzenamine, N,N-diethyl-4-(1H-1,2,4-triazol-3-ylazo)-
CID 93107
3-[4-(3-chlorophenyl)piperazino]-1H-1,2,4-triazol-5-amine
CID 1474429
5-[4-(4-chlorophenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485882
5-[4-(4-fluorophenyl)piperazino]-1-methyl-1H-1,2,4-triazol-3-amine
CID 2764707
5-[4-(2,6-dimethylphenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485884
3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 2764705
4-hydrazinyl-N-phenyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 818593
3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267638
3-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267644
N-phenyl-1H-1,2,4-triazol-5-amine
CID 307865
Cambridge id 5662445
CID 802553

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine (CID 2764704) is 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(c3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is STQNVQCAZDATSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-11-14-12(16-15-11)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,16).
What are the key properties of 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 244.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2764704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).