2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

C10H10ClFN4 — CID 103865833

IUPAC2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-16-6-8(14-15-16)5-13-10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3
InChIKeyMPSVOORCJPFBOM-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline

2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 103865833) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID103865833
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H10ClFN4/c1-16-6-8(14-15-16)5-13-10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3
InChIKeyMPSVOORCJPFBOM-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 62756131
2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757956
4-fluoro-N-[(1-methyltriazol-4-yl)methyl]-2-nitroaniline
CID 55113981
6-chloro-N-[(1-methyltriazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 62756856
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
3-bromo-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 178189717
N-[(1-tert-butyltriazol-4-yl)methyl]-2,4-difluoroaniline
CID 103398549
3,5-dichloro-4-(difluoromethoxy)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 103865833) is 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is Cn1cc(CNc2cc(F)ccc2Cl)nn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is MPSVOORCJPFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-16-6-8(14-15-16)5-13-10-4-7(12)2-3-9(10)11/h2-4,6,13H,5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline?
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 240.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 103865833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).