3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline

C15H16N6 — CID 104756623

IUPAC3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2ccc(-n3cnnn3)c(C)c2)cn1
InChIInChI=1S/C15H16N6/c1-11-7-14(5-6-15(11)21-10-18-19-20-21)17-9-13-4-3-12(2)16-8-13/h3-8,10,17H,9H2,1-2H3
InChIKeyKXUDHCLQHJLGNN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline

3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 104756623) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID104756623
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1ccc(CNc2ccc(-n3cnnn3)c(C)c2)cn1
InChIInChI=1S/C15H16N6/c1-11-7-14(5-6-15(11)21-10-18-19-20-21)17-9-13-4-3-12(2)16-8-13/h3-8,10,17H,9H2,1-2H3
InChIKeyKXUDHCLQHJLGNN-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
5-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743847
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline (CID 104756623) is 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline is Cc1ccc(CNc2ccc(-n3cnnn3)c(C)c2)cn1.
What is the InChIKey of 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is KXUDHCLQHJLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-7-14(5-6-15(11)21-10-18-19-20-21)17-9-13-4-3-12(2)16-8-13/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline?
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 280.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 104756623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).