N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline

C12H13N7 — CID 62741215

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1ncc(CNc2ccc(-n3cnnn3)cc2)[nH]1
InChIInChI=1S/C12H13N7/c1-9-13-6-11(16-9)7-14-10-2-4-12(5-3-10)19-8-15-17-18-19/h2-6,8,14H,7H2,1H3,(H,13,16)
InChIKeyPSAUEYTXJZITGX-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.31
Rot. Bonds4

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline

N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 62741215) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID62741215
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCc1ncc(CNc2ccc(-n3cnnn3)cc2)[nH]1
InChIInChI=1S/C12H13N7/c1-9-13-6-11(16-9)7-14-10-2-4-12(5-3-10)19-8-15-17-18-19/h2-6,8,14H,7H2,1H3,(H,13,16)
InChIKeyPSAUEYTXJZITGX-UHFFFAOYSA-N
XLogP1.31
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-methylsulfonylaniline
CID 62741398
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
2-[N-ethyl-4-[(2-methyl-1H-imidazol-5-yl)methylamino]anilino]ethanol
CID 62743285
N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 114554811
4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
CID 28621740
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
CID 28621637

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 62741215) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline is Cc1ncc(CNc2ccc(-n3cnnn3)cc2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is PSAUEYTXJZITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-9-13-6-11(16-9)7-14-10-2-4-12(5-3-10)19-8-15-17-18-19/h2-6,8,14H,7H2,1H3,(H,13,16).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 255.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62741215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).