1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine

C10H11ClN4 — CID 79542116

IUPAC1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-7-10(12)13-14-15(7)6-8-3-2-4-9(11)5-8/h2-5H,6,12H2,1H3
InChIKeyGKMAQWNINPNKBZ-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.87
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine

1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine (PubChem CID 79542116) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
PubChem CID79542116
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN4/c1-7-10(12)13-14-15(7)6-8-3-2-4-9(11)5-8/h2-5H,6,12H2,1H3
InChIKeyGKMAQWNINPNKBZ-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 107889101
methyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 59583410
3-[(4-amino-5-methyltriazol-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 79543098
1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 102864092
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79225299
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine (CID 79542116) is 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine?
The InChIKey is GKMAQWNINPNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-10(12)13-14-15(7)6-8-3-2-4-9(11)5-8/h2-5H,6,12H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine?
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine has a molecular weight of 222.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 79542116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).