(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine

C12H14Cl2N4 — CID 112744766

IUPAC(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCn1ncnc1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-6-18-12(16-7-17-18)11(15)10-8(13)4-3-5-9(10)14/h3-5,7,11H,2,6,15H2,1H3
InChIKeyZLDMTQMRPZPHDK-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.04
Rot. Bonds4

About (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine

(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744766) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744766
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCn1ncnc1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-6-18-12(16-7-17-18)11(15)10-8(13)4-3-5-9(10)14/h3-5,7,11H,2,6,15H2,1H3
InChIKeyZLDMTQMRPZPHDK-UHFFFAOYSA-N
XLogP3.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
CID 112744495
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112744204
1-(3-chloro-2-ethoxyphenyl)-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125169465
2-[5-[amino-(2,6-dichlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038998
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
N-[[3-chloro-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952991
5-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-1-propyl-1,2,4-triazole
CID 112613782
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine (CID 112744766) is (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine is CCCn1ncnc1C(N)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is ZLDMTQMRPZPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-2-6-18-12(16-7-17-18)11(15)10-8(13)4-3-5-9(10)14/h3-5,7,11H,2,6,15H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine?
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 285.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).