1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine

C7H13N5 — CID 141318849

IUPAC1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyJBQZITDVHCVYEM-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.44
Rot. Bonds1

About 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine

1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 141318849) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID141318849
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESCN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyJBQZITDVHCVYEM-UHFFFAOYSA-N
XLogP-0.44
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 141318849) is 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine is CN1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is JBQZITDVHCVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 167.22 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 141318849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).