N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine

C12H17N5 — CID 55070699

IUPACN-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H17N5/c1-10(2)13-8-9-17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyPVVOMKWREKUMQK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine

N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine (PubChem CID 55070699) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
PubChem CID55070699
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H17N5/c1-10(2)13-8-9-17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyPVVOMKWREKUMQK-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
CID 62562414
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
CID 62563128
2-methyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]cyclohexan-1-amine
CID 62563466
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
CID 79173649
3-(5-phenyltetrazol-2-yl)propanal
CID 63038867
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62563641
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 103227465
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine (CID 55070699) is N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine is CC(C)NCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine?
The InChIKey is PVVOMKWREKUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)13-8-9-17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine?
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 55070699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).