(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine

C12H14Cl2N4 — CID 105038562

IUPAC(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3
InChIKeyZXMNDFDHOIHCQV-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.04
Rot. Bonds4

About (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine

(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038562) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038562
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3
InChIKeyZXMNDFDHOIHCQV-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-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine (CID 105038562) is (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is ZXMNDFDHOIHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine?
(2,4-dichlorophenyl)-(3-propyltriazol-4-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 (2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).