[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine

C12H18N8 — CID 107355735

IUPAC[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCn1nnnc1N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C12H18N8/c1-18-12(15-16-17-18)20-6-4-19(5-7-20)11-3-2-10(8-13)9-14-11/h2-3,9H,4-8,13H2,1H3
InChIKeyJJJIKHGDUHDOSZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.61
Rot. Bonds3

About [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine

[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine (PubChem CID 107355735) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine
PubChem CID107355735
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESCn1nnnc1N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C12H18N8/c1-18-12(15-16-17-18)20-6-4-19(5-7-20)11-3-2-10(8-13)9-14-11/h2-3,9H,4-8,13H2,1H3
InChIKeyJJJIKHGDUHDOSZ-UHFFFAOYSA-N
XLogP-0.61
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine (CID 107355735) is [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine is Cn1nnnc1N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is JJJIKHGDUHDOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-18-12(15-16-17-18)20-6-4-19(5-7-20)11-3-2-10(8-13)9-14-11/h2-3,9H,4-8,13H2,1H3.
What are the key properties of [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
[6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 274.33 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 107355735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).