N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine

C12H17N5 — CID 103710980

IUPACN-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5/c1-3-9-13-10(2)12-14-15-16-17(12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyWERRFLIADNTJPI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 103710980) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID103710980
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H17N5/c1-3-9-13-10(2)12-14-15-16-17(12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyWERRFLIADNTJPI-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084870
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine (CID 103710980) is N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is WERRFLIADNTJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-9-13-10(2)12-14-15-16-17(12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3.
What are the key properties of N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).