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

C13H15N7 — CID 62350456

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2nccn2C)c1
InChIInChI=1S/C13H15N7/c1-10-16-17-18-20(10)12-5-3-4-11(8-12)15-9-13-14-6-7-19(13)2/h3-8,15H,9H2,1-2H3
InChIKeyTWWDDDRVZAPSJZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.32
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 62350456) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
PubChem CID62350456
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
SMILESCc1nnnn1-c1cccc(NCc2nccn2C)c1
InChIInChI=1S/C13H15N7/c1-10-16-17-18-20(10)12-5-3-4-11(8-12)15-9-13-14-6-7-19(13)2/h3-8,15H,9H2,1-2H3
InChIKeyTWWDDDRVZAPSJZ-UHFFFAOYSA-N
XLogP1.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
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
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985226
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline (CID 62350456) is N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline is Cc1nnnn1-c1cccc(NCc2nccn2C)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is TWWDDDRVZAPSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-10-16-17-18-20(10)12-5-3-4-11(8-12)15-9-13-14-6-7-19(13)2/h3-8,15H,9H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline?
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 269.31 g/mol, XLogP of 1.32, 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-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 62350456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).