5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine

C15H16N6 — CID 103932356

IUPAC5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
SMILESCc1cncc(NC(C)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H16N6/c1-11-6-14(9-16-8-11)18-12(2)13-4-3-5-15(7-13)21-10-17-19-20-21/h3-10,12,18H,1-2H3
InChIKeyRFTOXCPSGUZXJS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds4

About 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine

5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine (PubChem CID 103932356) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
PubChem CID103932356
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
SMILESCc1cncc(NC(C)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H16N6/c1-11-6-14(9-16-8-11)18-12(2)13-4-3-5-15(7-13)21-10-17-19-20-21/h3-10,12,18H,1-2H3
InChIKeyRFTOXCPSGUZXJS-UHFFFAOYSA-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-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43684011
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
CID 43823269
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 103932265
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine (CID 103932356) is 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine is Cc1cncc(NC(C)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine?
The InChIKey is RFTOXCPSGUZXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-6-14(9-16-8-11)18-12(2)13-4-3-5-15(7-13)21-10-17-19-20-21/h3-10,12,18H,1-2H3.
What are the key properties of 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine?
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-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 5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine is sourced from PubChem (CID 103932356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).