2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine

C11H12Cl2N4 — CID 63998520

IUPAC2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H12Cl2N4/c1-11(2,14)10-6-17(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,14H2,1-2H3
InChIKeyFOVHGXLOTUBZLC-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.77
Rot. Bonds2

About 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine

2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine (PubChem CID 63998520) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine
PubChem CID63998520
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H12Cl2N4/c1-11(2,14)10-6-17(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,14H2,1-2H3
InChIKeyFOVHGXLOTUBZLC-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenyltriazol-4-yl)propan-2-amine
CID 63997710
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
CID 63998100
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
2-[1-[3-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 116700797
2-[1-(5-chloro-2-methylphenyl)triazol-4-yl]propan-2-amine
CID 63996897
3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83216651
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
bis(1-[1-(3,4-dichlorophenyl)triazol-4-yl]-N,N-dimethylmethanamine);[1-(3,4-dichlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 161372896
2-[1-(5-chloro-2-nitrophenyl)triazol-4-yl]propan-2-amine
CID 63997912
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
methyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241294

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine (CID 63998520) is 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine?
The InChIKey is FOVHGXLOTUBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-11(2,14)10-6-17(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,14H2,1-2H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine?
2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine has a molecular weight of 271.15 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63998520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).