(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine

C12H15ClN4 — CID 114686950

IUPAC(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN4/c1-2-6-17-11(8-15-16-17)12(14)9-4-3-5-10(13)7-9/h3-5,7-8,12H,2,6,14H2,1H3
InChIKeyYDBCTHDQJZNLHL-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.39
Rot. Bonds4

About (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine

(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114686950) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114686950
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN4/c1-2-6-17-11(8-15-16-17)12(14)9-4-3-5-10(13)7-9/h3-5,7-8,12H,2,6,14H2,1H3
InChIKeyYDBCTHDQJZNLHL-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038767
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038683
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688819

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine (CID 114686950) is (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is YDBCTHDQJZNLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-6-17-11(8-15-16-17)12(14)9-4-3-5-10(13)7-9/h3-5,7-8,12H,2,6,14H2,1H3.
What are the key properties of (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine?
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).