1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine

C15H16N6 — CID 95243042

IUPAC1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C15H16N6/c1-11-6-8-13(9-7-11)21-15(18-19-20-21)17-12(2)14-5-3-4-10-16-14/h3-10,12H,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyREBXMVANMNDYOW-GFCCVEGCSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine

1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine (PubChem CID 95243042) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine
PubChem CID95243042
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C15H16N6/c1-11-6-8-13(9-7-11)21-15(18-19-20-21)17-12(2)14-5-3-4-10-16-14/h3-10,12H,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyREBXMVANMNDYOW-GFCCVEGCSA-N
XLogP2.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
1,4-dimethyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562229
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine (CID 95243042) is 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine is Cc1ccc(-n2nnnc2N[C@H](C)c2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine?
The InChIKey is REBXMVANMNDYOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-6-8-13(9-7-11)21-15(18-19-20-21)17-12(2)14-5-3-4-10-16-14/h3-10,12H,1-2H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine?
1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine has a molecular weight of 280.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine is sourced from PubChem (CID 95243042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).