N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline

C14H15N5 — CID 62129273

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCn1cccc1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H15N5/c1-18-7-3-6-14(18)9-15-12-4-2-5-13(8-12)19-10-16-17-11-19/h2-8,10-11,15H,9H2,1H3
InChIKeyMRBATRDUMJDTAZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.22
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline

N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 62129273) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
PubChem CID62129273
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCn1cccc1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H15N5/c1-18-7-3-6-14(18)9-15-12-4-2-5-13(8-12)19-10-16-17-11-19/h2-8,10-11,15H,9H2,1H3
InChIKeyMRBATRDUMJDTAZ-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 66411725
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
N-[(2-ethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62391060
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691900
N-[(2,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691916
2-methyl-6-[[3-(1,2,4-triazol-4-yl)anilino]methyl]phenol
CID 115904248
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
N-pentyl-3-(1,2,4-triazol-4-yl)aniline
CID 43691893
N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692029
4-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzene-1,2-diol
CID 43691958

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (CID 62129273) is N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is Cn1cccc1CNc1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is MRBATRDUMJDTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-7-3-6-14(18)9-15-12-4-2-5-13(8-12)19-10-16-17-11-19/h2-8,10-11,15H,9H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 253.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 62129273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).