2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine

C8H17N7 — CID 63151899

IUPAC2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine
SMILESCn1nnnc1N1CCN(CCN)CC1
InChIInChI=1S/C8H17N7/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7,9H2,1H3
InChIKeyOZMFBFVNKOGUIQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-1.71
Rot. Bonds3

About 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine

2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine (PubChem CID 63151899) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine
PubChem CID63151899
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine
SMILESCn1nnnc1N1CCN(CCN)CC1
InChIInChI=1S/C8H17N7/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7,9H2,1H3
InChIKeyOZMFBFVNKOGUIQ-UHFFFAOYSA-N
XLogP-1.71
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine (CID 63151899) is 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine is Cn1nnnc1N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine?
The InChIKey is OZMFBFVNKOGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-13-8(10-11-12-13)15-6-4-14(3-2-9)5-7-15/h2-7,9H2,1H3.
What are the key properties of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine?
2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine has a molecular weight of 211.27 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 63151899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).