4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine

C15H13Cl2N5 — CID 16679494

IUPAC4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-21-20-9-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyWWYGMQSTXVLVMT-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.89
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine

4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine (PubChem CID 16679494) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
PubChem CID16679494
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
SMILESCc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-21-20-9-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyWWYGMQSTXVLVMT-UHFFFAOYSA-N
XLogP3.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine (CID 16679494) is 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine is Cc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is WWYGMQSTXVLVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-21-20-9-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,21).
What are the key properties of 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine?
4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 334.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 16679494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).