[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine

C12H14Cl2N4 — CID 82196629

IUPAC[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N4/c1-2-3-12-11(7-15)16-17-18(12)10-5-8(13)4-9(14)6-10/h4-6H,2-3,7,15H2,1H3
InChIKeyMLYPJQUKKKRYEP-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.99
Rot. Bonds4

About [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine

[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine (PubChem CID 82196629) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
PubChem CID82196629
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl2N4/c1-2-3-12-11(7-15)16-17-18(12)10-5-8(13)4-9(14)6-10/h4-6H,2-3,7,15H2,1H3
InChIKeyMLYPJQUKKKRYEP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
[5-butyl-1-(4-chloro-3-nitrophenyl)triazol-4-yl]methanamine
CID 94938073
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
CID 94937588
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine (CID 82196629) is [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is MLYPJQUKKKRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-2-3-12-11(7-15)16-17-18(12)10-5-8(13)4-9(14)6-10/h4-6H,2-3,7,15H2,1H3.
What are the key properties of [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine?
[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 285.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82196629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).