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

C9H19N7 — CID 107041759

IUPAC2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
SMILESCn1nnc(CN2CCN(CCN)CC2)n1
InChIInChI=1S/C9H19N7/c1-14-12-9(11-13-14)8-16-6-4-15(3-2-10)5-7-16/h2-8,10H2,1H3
InChIKeyNPQQXJJOAZJUOJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP-1.71
Rot. Bonds4

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

2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine (PubChem CID 107041759) has the molecular formula C9H19N7 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
PubChem CID107041759
Molecular FormulaC9H19N7
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
SMILESCn1nnc(CN2CCN(CCN)CC2)n1
InChIInChI=1S/C9H19N7/c1-14-12-9(11-13-14)8-16-6-4-15(3-2-10)5-7-16/h2-8,10H2,1H3
InChIKeyNPQQXJJOAZJUOJ-UHFFFAOYSA-N
XLogP-1.71
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
4-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 107044922
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
2-[(2-methyltetrazol-5-yl)methylsulfinyl]ethanamine
CID 107059372
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-[(2-methyltetrazol-5-yl)methyl]-4-[(1R)-1-thiophen-3-ylethyl]piperazine
CID 124625428
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
CID 107054238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine (CID 107041759) is 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine is Cn1nnc(CN2CCN(CCN)CC2)n1.
What is the InChIKey of 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is NPQQXJJOAZJUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N7/c1-14-12-9(11-13-14)8-16-6-4-15(3-2-10)5-7-16/h2-8,10H2,1H3.
What are the key properties of 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine?
2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 225.30 g/mol, XLogP of -1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 107041759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).