3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C15H18N6 — CID 62475298

IUPAC3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(-n3cnnn3)c2)c(C)n1C
InChIInChI=1S/C15H18N6/c1-11-7-13(12(2)20(11)3)9-16-14-5-4-6-15(8-14)21-10-17-18-19-21/h4-8,10,16H,9H2,1-3H3
InChIKeyYVSBZMKCPCQURR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.23
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62475298) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62475298
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(CNc2cccc(-n3cnnn3)c2)c(C)n1C
InChIInChI=1S/C15H18N6/c1-11-7-13(12(2)20(11)3)9-16-14-5-4-6-15(8-14)21-10-17-18-19-21/h4-8,10,16H,9H2,1-3H3
InChIKeyYVSBZMKCPCQURR-UHFFFAOYSA-N
XLogP2.23
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
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
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62475298) is 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(CNc2cccc(-n3cnnn3)c2)c(C)n1C.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is YVSBZMKCPCQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-7-13(12(2)20(11)3)9-16-14-5-4-6-15(8-14)21-10-17-18-19-21/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 282.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).