3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine

C10H21N7 — CID 107041756

IUPAC3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCn1nnc(CN2CCN(CCCN)CC2)n1
InChIInChI=1S/C10H21N7/c1-15-13-10(12-14-15)9-17-7-5-16(6-8-17)4-2-3-11/h2-9,11H2,1H3
InChIKeyDDTKLGLONGEXIP-UHFFFAOYSA-N
MW239.33 g/mol
LogP-1.32
Rot. Bonds5

About 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 107041756) has the molecular formula C10H21N7 and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID107041756
Molecular FormulaC10H21N7
Molecular Weight239.33 g/mol
Exact Mass239.19
IUPAC Name3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCn1nnc(CN2CCN(CCCN)CC2)n1
InChIInChI=1S/C10H21N7/c1-15-13-10(12-14-15)9-17-7-5-16(6-8-17)4-2-3-11/h2-9,11H2,1H3
InChIKeyDDTKLGLONGEXIP-UHFFFAOYSA-N
XLogP-1.32
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanamine
CID 107041759
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
CID 24996200
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
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
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine (CID 107041756) is 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine is Cn1nnc(CN2CCN(CCCN)CC2)n1.
What is the InChIKey of 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is DDTKLGLONGEXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7/c1-15-13-10(12-14-15)9-17-7-5-16(6-8-17)4-2-3-11/h2-9,11H2,1H3.
What are the key properties of 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 239.33 g/mol, XLogP of -1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 107041756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).