N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine

C15H14ClN5 — CID 42909642

IUPACN-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20)
InChIKeyNVHRLXQIZOZQMD-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine

N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 42909642) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID42909642
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20)
InChIKeyNVHRLXQIZOZQMD-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
CID 68583696
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine (CID 42909642) is N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine is CC(Nc1nnnn1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is NVHRLXQIZOZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 299.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 42909642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).