[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine

C14H13ClN4O — CID 82203675

IUPAC[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(Cl)c2)c1-c1ccco1
InChIInChI=1S/C14H13ClN4O/c15-11-4-1-3-10(7-11)9-19-14(12(8-16)17-18-19)13-5-2-6-20-13/h1-7H,8-9,16H2
InChIKeyCEMWBWZAYSIKCE-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.70
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine

[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine (PubChem CID 82203675) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
PubChem CID82203675
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESNCc1nnn(Cc2cccc(Cl)c2)c1-c1ccco1
InChIInChI=1S/C14H13ClN4O/c15-11-4-1-3-10(7-11)9-19-14(12(8-16)17-18-19)13-5-2-6-20-13/h1-7H,8-9,16H2
InChIKeyCEMWBWZAYSIKCE-UHFFFAOYSA-N
XLogP2.70
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203571
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine (CID 82203675) is [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine is NCc1nnn(Cc2cccc(Cl)c2)c1-c1ccco1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
The InChIKey is CEMWBWZAYSIKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-4-1-3-10(7-11)9-19-14(12(8-16)17-18-19)13-5-2-6-20-13/h1-7H,8-9,16H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine?
[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine has a molecular weight of 288.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82203675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).