N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine

C16H17N5 — CID 60703954

IUPACN-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCc1ccccc1C(C)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-12-8-6-7-11-15(12)13(2)17-16-18-19-20-21(16)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,17,18,20)
InChIKeyIIWFPMCQUBFLOH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine

N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 60703954) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID60703954
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCc1ccccc1C(C)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C16H17N5/c1-12-8-6-7-11-15(12)13(2)17-16-18-19-20-21(16)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,17,18,20)
InChIKeyIIWFPMCQUBFLOH-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine
CID 95243042
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
CID 61462761
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
CID 154800577

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine (CID 60703954) is N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine is Cc1ccccc1C(C)Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is IIWFPMCQUBFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-8-6-7-11-15(12)13(2)17-16-18-19-20-21(16)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,17,18,20).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 279.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 60703954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).