N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine

C9H8ClFN4 — CID 962179

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
SMILESFc1cccc(Cl)c1CNc1ncn[nH]1
InChIInChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15)
InChIKeyCKZWEDARGAZJHI-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.21
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 962179) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
PubChem CID962179
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
SMILESFc1cccc(Cl)c1CNc1ncn[nH]1
InChIInChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15)
InChIKeyCKZWEDARGAZJHI-UHFFFAOYSA-N
XLogP2.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362986
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
CID 23988664
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
5-bromo-3-N-[(2-chloro-6-fluorophenyl)methyl]pyrazine-2,3-diamine
CID 90070689
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
5-(1H-benzimidazol-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 137177813
N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-pyrrol-2-yl)-1H-1,2,4-triazol-3-amine
CID 137177816

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine (CID 962179) is N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine is Fc1cccc(Cl)c1CNc1ncn[nH]1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is CKZWEDARGAZJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H2,12,13,14,15).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 226.64 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 962179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).