5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine

C15H14ClN5O — CID 112947351

IUPAC5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CNc2cnnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14ClN5O/c16-12-5-3-11(4-6-12)8-17-14-10-19-21-15(20-14)18-9-13-2-1-7-22-13/h1-7,10H,8-9H2,(H2,17,18,20,21)
InChIKeyUZHHXORJKZLKLH-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.34
Rot. Bonds6

About 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine

5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112947351) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112947351
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(CNc2cnnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C15H14ClN5O/c16-12-5-3-11(4-6-12)8-17-14-10-19-21-15(20-14)18-9-13-2-1-7-22-13/h1-7,10H,8-9H2,(H2,17,18,20,21)
InChIKeyUZHHXORJKZLKLH-UHFFFAOYSA-N
XLogP3.34
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
5-N-[(4-chlorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112950465
5-N-(furan-2-ylmethyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947236
3-N-(furan-2-ylmethyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947412
3-N-[(4-chlorophenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938721
3-N-(2-bromophenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950573
3-N-(4-bromophenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950545
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
5-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112947274
5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947481
5-N-[(4-chlorophenyl)methyl]-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112950572
3-N-(3-chloro-2-methylphenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950537

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine (CID 112947351) is 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is Clc1ccc(CNc2cnnc(NCc3ccco3)n2)cc1.
What is the InChIKey of 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is UZHHXORJKZLKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-12-5-3-11(4-6-12)8-17-14-10-19-21-15(20-14)18-9-13-2-1-7-22-13/h1-7,10H,8-9H2,(H2,17,18,20,21).
What are the key properties of 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine?
5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 315.76 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-chlorophenyl)methyl]-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).