4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide

C15H12ClN5O2 — CID 44520931

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1
InChIInChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21)
InChIKeyAGTOBZALEHSBGN-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.30
Rot. Bonds4

About 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide

4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide (PubChem CID 44520931) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide
PubChem CID44520931
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1
InChIInChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21)
InChIKeyAGTOBZALEHSBGN-UHFFFAOYSA-N
XLogP2.30
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide (CID 44520931) is 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide is Nc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide?
The InChIKey is AGTOBZALEHSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide?
4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 44520931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).