3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

C14H20N6 — CID 14450389

IUPAC3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCC(c1ccccc1)N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C14H20N6/c1-11(12-5-3-2-4-6-12)19-7-9-20(10-8-19)14-16-13(15)17-18-14/h2-6,11H,7-10H2,1H3,(H3,15,16,17,18)
InChIKeyNKBMCRZFKQGEIY-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.27
Rot. Bonds3

About 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 14450389) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID14450389
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCC(c1ccccc1)N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C14H20N6/c1-11(12-5-3-2-4-6-12)19-7-9-20(10-8-19)14-16-13(15)17-18-14/h2-6,11H,7-10H2,1H3,(H3,15,16,17,18)
InChIKeyNKBMCRZFKQGEIY-UHFFFAOYSA-N
XLogP1.27
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine
CID 118165243
1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine
CID 118165313
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-bromophenyl)ethyl]-N-ethylpiperidin-4-amine
CID 118165200
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-ethylpiperidin-4-amine
CID 118165257
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-cyclopropylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165260
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165354
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118165472
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 118165621
5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
CID 1485849
5-[4-(Diphenylmethyl)-1-piperazinyl]-1H-1,2,4-triazol-3-amine
CID 1485885
5-[4-(2,6-dimethylphenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485884

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 14450389) is 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is CC(c1ccccc1)N1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is NKBMCRZFKQGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11(12-5-3-2-4-6-12)19-7-9-20(10-8-19)14-16-13(15)17-18-14/h2-6,11H,7-10H2,1H3,(H3,15,16,17,18).
What are the key properties of 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 14450389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).