1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine

C10H11ClN4 — CID 82569006

IUPAC1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C10H11ClN4/c1-12-6-9-13-10(15-14-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3,(H,13,14,15)
InChIKeyQAIZTDCIUIHCBK-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.84
Rot. Bonds3

About 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine

1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine (PubChem CID 82569006) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
PubChem CID82569006
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C10H11ClN4/c1-12-6-9-13-10(15-14-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3,(H,13,14,15)
InChIKeyQAIZTDCIUIHCBK-UHFFFAOYSA-N
XLogP1.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600353
3-chloro-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61353986
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
1-[5-(3-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 83897435
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 82569022
2-chloro-5-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568721
N-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43839988
2-(3-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 56523815
4-fluoro-N-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840038
5-butyl-3-[3-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole
CID 169210060

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine (CID 82569006) is 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine is CNCc1nc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine?
The InChIKey is QAIZTDCIUIHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-12-6-9-13-10(15-14-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3,(H,13,14,15).
What are the key properties of 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine?
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine has a molecular weight of 222.68 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82569006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).