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

C12H14N8 — CID 62756138

IUPAC3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2cn(C)nn2)ccc1-n1cnnn1
InChIInChI=1S/C12H14N8/c1-9-5-10(13-6-11-7-19(2)17-15-11)3-4-12(9)20-8-14-16-18-20/h3-5,7-8,13H,6H2,1-2H3
InChIKeyUNWKTEHDHLXYAI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.71
Rot. Bonds4

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

3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 62756138) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID62756138
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2cn(C)nn2)ccc1-n1cnnn1
InChIInChI=1S/C12H14N8/c1-9-5-10(13-6-11-7-19(2)17-15-11)3-4-12(9)20-8-14-16-18-20/h3-5,7-8,13H,6H2,1-2H3
InChIKeyUNWKTEHDHLXYAI-UHFFFAOYSA-N
XLogP0.71
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 56795594
7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42884024
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
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
2-methyl-7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55894578
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46566858
5-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 62756138) is 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1cc(NCc2cn(C)nn2)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is UNWKTEHDHLXYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-9-5-10(13-6-11-7-19(2)17-15-11)3-4-12(9)20-8-14-16-18-20/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 270.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62756138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).