5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

C13H11Cl2N5O — CID 78318898

IUPAC5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCc3ccco3)n[nH]2)c1
InChIInChI=1S/C13H11Cl2N5O/c14-8-4-9(15)6-10(5-8)17-13-18-12(19-20-13)16-7-11-2-1-3-21-11/h1-6H,7H2,(H3,16,17,18,19,20)
InChIKeyBMYBAJPUDRPUGV-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.06
Rot. Bonds5

About 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 78318898) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID78318898
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Name5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCc3ccco3)n[nH]2)c1
InChIInChI=1S/C13H11Cl2N5O/c14-8-4-9(15)6-10(5-8)17-13-18-12(19-20-13)16-7-11-2-1-3-21-11/h1-6H,7H2,(H3,16,17,18,19,20)
InChIKeyBMYBAJPUDRPUGV-UHFFFAOYSA-N
XLogP4.06
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

5-N-(3,5-dichlorophenyl)-3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 123450228
5-N-(3,5-dimethylphenyl)-3-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 129018651
5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
CID 167819666
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
CID 135870752
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
N-(3,5-dichlorophenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
CID 109169407
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889200

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (CID 78318898) is 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is Clc1cc(Cl)cc(Nc2nc(NCc3ccco3)n[nH]2)c1.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is BMYBAJPUDRPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c14-8-4-9(15)6-10(5-8)17-13-18-12(19-20-13)16-7-11-2-1-3-21-11/h1-6H,7H2,(H3,16,17,18,19,20).
What are the key properties of 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 324.17 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 78318898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).