3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline

C15H15ClN4O — CID 62633988

IUPAC3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCCC(Nc1cccc(Cl)c1-n1cncn1)c1ccco1
InChIInChI=1S/C15H15ClN4O/c1-2-12(14-7-4-8-21-14)19-13-6-3-5-11(16)15(13)20-10-17-9-18-20/h3-10,12,19H,2H2,1H3
InChIKeyAGDRTRDHAZYDQO-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.08
Rot. Bonds5

About 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline

3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 62633988) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline
PubChem CID62633988
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline
SMILESCCC(Nc1cccc(Cl)c1-n1cncn1)c1ccco1
InChIInChI=1S/C15H15ClN4O/c1-2-12(14-7-4-8-21-14)19-13-6-3-5-11(16)15(13)20-10-17-9-18-20/h3-10,12,19H,2H2,1H3
InChIKeyAGDRTRDHAZYDQO-UHFFFAOYSA-N
XLogP4.08
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-2-(1,2,4-triazol-1-yl)aniline
CID 63090210
3-chloro-N-(1-phenylethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43726250
3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43726239
N-butyl-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43726263
3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 81070411
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
3-chloro-N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 66413773
3-chloro-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 79557062
3-chloro-N-(3-methoxy-3-methylbutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 102975692
3-chloro-N-(oxan-4-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 62386323
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658429
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline (CID 62633988) is 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline is CCC(Nc1cccc(Cl)c1-n1cncn1)c1ccco1.
What is the InChIKey of 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is AGDRTRDHAZYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-12(14-7-4-8-21-14)19-13-6-3-5-11(16)15(13)20-10-17-9-18-20/h3-10,12,19H,2H2,1H3.
What are the key properties of 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline?
3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 302.76 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(furan-2-yl)propyl]-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 62633988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).