2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

C12H15ClN4 — CID 79443116

IUPAC2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN4/c1-17-12(15-8-16-17)6-10(7-14)9-3-2-4-11(13)5-9/h2-5,8,10H,6-7,14H2,1H3
InChIKeyHZAREWMVWSTFIG-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 79443116) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID79443116
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCn1ncnc1CC(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN4/c1-17-12(15-8-16-17)6-10(7-14)9-3-2-4-11(13)5-9/h2-5,8,10H,6-7,14H2,1H3
InChIKeyHZAREWMVWSTFIG-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79441166
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79443187
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
3-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62695858
2-(4-chlorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79441816
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107078
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(4-chlorophenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 79441588
4-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79528483
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449
3-(3-chlorophenoxy)-N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105159384

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 79443116) is 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is Cn1ncnc1CC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is HZAREWMVWSTFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-17-12(15-8-16-17)6-10(7-14)9-3-2-4-11(13)5-9/h2-5,8,10H,6-7,14H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 250.73 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 79443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).