3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline

C12H13N7 — CID 107042816

IUPAC3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
SMILESCn1nnc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N7/c1-18-16-11(15-17-18)8-19-6-5-14-12(19)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3
InChIKeyLMLDRBADRGVYQV-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.70
Rot. Bonds3

About 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline

3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline (PubChem CID 107042816) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
PubChem CID107042816
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
SMILESCn1nnc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C12H13N7/c1-18-16-11(15-17-18)8-19-6-5-14-12(19)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3
InChIKeyLMLDRBADRGVYQV-UHFFFAOYSA-N
XLogP0.70
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
CID 82866200
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
3-[1-[(2,4-difluorophenyl)methyl]imidazol-2-yl]aniline
CID 62197808
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
3-[(2-methyltetrazol-5-yl)methylsulfanyl]aniline
CID 107043504
N-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]methanamine
CID 107045468

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline (CID 107042816) is 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline is Cn1nnc(Cn2ccnc2-c2cccc(N)c2)n1.
What is the InChIKey of 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline?
The InChIKey is LMLDRBADRGVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18-16-11(15-17-18)8-19-6-5-14-12(19)9-3-2-4-10(13)7-9/h2-7H,8,13H2,1H3.
What are the key properties of 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline?
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline has a molecular weight of 255.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline is sourced from PubChem (CID 107042816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).