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

C16H19N5 — CID 66411725

IUPACN-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCCCn1cccc1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H19N5/c1-2-8-20-9-4-7-16(20)11-17-14-5-3-6-15(10-14)21-12-18-19-13-21/h3-7,9-10,12-13,17H,2,8,11H2,1H3
InChIKeyNNCKRQHTSOEGDA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

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

N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 66411725) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
PubChem CID66411725
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCCCn1cccc1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H19N5/c1-2-8-20-9-4-7-16(20)11-17-14-5-3-6-15(10-14)21-12-18-19-13-21/h3-7,9-10,12-13,17H,2,8,11H2,1H3
InChIKeyNNCKRQHTSOEGDA-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62129273
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411319
N-[(2-ethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62391060
N-pentyl-3-(1,2,4-triazol-4-yl)aniline
CID 43691893
methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
N-(3-methylbutyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43691963
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (CID 66411725) is N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is CCCn1cccc1CNc1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is NNCKRQHTSOEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-8-20-9-4-7-16(20)11-17-14-5-3-6-15(10-14)21-12-18-19-13-21/h3-7,9-10,12-13,17H,2,8,11H2,1H3.
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 66411725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).