N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline

C12H13N7 — CID 60694837

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCn1ccnc1CNc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13N7/c1-18-6-5-13-12(18)8-14-10-3-2-4-11(7-10)19-9-15-16-17-19/h2-7,9,14H,8H2,1H3
InChIKeyLYSOKRDQDLOWEY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.01
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline

N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 60694837) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID60694837
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCn1ccnc1CNc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13N7/c1-18-6-5-13-12(18)8-14-10-3-2-4-11(7-10)19-9-15-16-17-19/h2-7,9,14H,8H2,1H3
InChIKeyLYSOKRDQDLOWEY-UHFFFAOYSA-N
XLogP1.01
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 60694837) is N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline is Cn1ccnc1CNc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is LYSOKRDQDLOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18-6-5-13-12(18)8-14-10-3-2-4-11(7-10)19-9-15-16-17-19/h2-7,9,14H,8H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 255.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60694837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).