N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide

C16H13N7O2 — CID 127036740

IUPACN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide
SMILESCNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C16H13N7O2/c1-17-14-20-15-18-12(11-8-5-9-25-11)22-23(15)16(21-14)19-13(24)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
InChIKeyHFNKEYSOOSBXSY-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide

N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide (PubChem CID 127036740) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide
PubChem CID127036740
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide
SMILESCNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C16H13N7O2/c1-17-14-20-15-18-12(11-8-5-9-25-11)22-23(15)16(21-14)19-13(24)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
InChIKeyHFNKEYSOOSBXSY-UHFFFAOYSA-N
XLogP2.07
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol
CID 176407
(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
1-(ethylsulfonyl)-N-(2-furylmethyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 970919
N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
1-[5-Benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
CID 3586645
Triazine-4-carboxamide, 7
CID 44520932
Triazine-4-carboxamide, 8
CID 44520933
2-(Furan-2-Yl)-N~5~-[2-(4-Phenylpiperidin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 86302363
2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
4-[2-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-tritiophenol
CID 53316647
(125I)ZM-241385
CID 73754992
4-[5-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]pentylcarbamoyl]benzenesulfonyl fluoride
CID 145951783

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide?
The IUPAC name of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide (CID 127036740) is N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide is CNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide?
The InChIKey is HFNKEYSOOSBXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-17-14-20-15-18-12(11-8-5-9-25-11)22-23(15)16(21-14)19-13(24)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24).
What are the key properties of N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide?
N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide has a molecular weight of 335.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]benzamide is sourced from PubChem (CID 127036740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).