N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline

C13H11ClN4O — CID 60780238

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
SMILESClc1ccc(CNc2ccccc2-n2ccnn2)o1
InChIInChI=1S/C13H11ClN4O/c14-13-6-5-10(19-13)9-15-11-3-1-2-4-12(11)18-8-7-16-17-18/h1-8,15H,9H2
InChIKeyKHJVATVHNODNRO-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.13
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline

N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline (PubChem CID 60780238) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
PubChem CID60780238
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
SMILESClc1ccc(CNc2ccccc2-n2ccnn2)o1
InChIInChI=1S/C13H11ClN4O/c14-13-6-5-10(19-13)9-15-11-3-1-2-4-12(11)18-8-7-16-17-18/h1-8,15H,9H2
InChIKeyKHJVATVHNODNRO-UHFFFAOYSA-N
XLogP3.13
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 60780218
4-chloro-2-[[2-(triazol-1-yl)anilino]methyl]phenol
CID 43676172
N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 83232418
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
N-prop-2-ynyl-2-(triazol-1-yl)aniline
CID 63951872
N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 43676139
6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79775616
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
CID 115777643
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
CID 66163095
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
1-[2-(sulfamoylamino)phenyl]triazole
CID 112573317

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline (CID 60780238) is N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline is Clc1ccc(CNc2ccccc2-n2ccnn2)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
The InChIKey is KHJVATVHNODNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-13-6-5-10(19-13)9-15-11-3-1-2-4-12(11)18-8-7-16-17-18/h1-8,15H,9H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline?
N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline has a molecular weight of 274.71 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline is sourced from PubChem (CID 60780238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).