3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline

C13H15N7 — CID 62743208

IUPAC3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2nc[nH]c2C)ccc1-n1cnnn1
InChIInChI=1S/C13H15N7/c1-9-5-11(14-6-12-10(2)15-7-16-12)3-4-13(9)20-8-17-18-19-20/h3-5,7-8,14H,6H2,1-2H3,(H,15,16)
InChIKeyVRDRWRPCSNTZJW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline

3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 62743208) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID62743208
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2nc[nH]c2C)ccc1-n1cnnn1
InChIInChI=1S/C13H15N7/c1-9-5-11(14-6-12-10(2)15-7-16-12)3-4-13(9)20-8-17-18-19-20/h3-5,7-8,14H,6H2,1-2H3,(H,15,16)
InChIKeyVRDRWRPCSNTZJW-UHFFFAOYSA-N
XLogP1.61
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
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-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
5-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]thiophene-2-carbonitrile
CID 115743847
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
3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 56795594
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 62743208) is 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1cc(NCc2nc[nH]c2C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is VRDRWRPCSNTZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-5-11(14-6-12-10(2)15-7-16-12)3-4-13(9)20-8-17-18-19-20/h3-5,7-8,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline?
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62743208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).