N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide

C19H19N7O2 — CID 127035804

IUPACN-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H19N7O2/c1-12(2)20-17-23-18(21-15(27)11-13-7-4-3-5-8-13)26-19(24-17)22-16(25-26)14-9-6-10-28-14/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23,24,25,27)
InChIKeyDDBNUUGAISIDIP-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide

N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (PubChem CID 127035804) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
PubChem CID127035804
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
SMILESCC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H19N7O2/c1-12(2)20-17-23-18(21-15(27)11-13-7-4-3-5-8-13)26-19(24-17)22-16(25-26)14-9-6-10-28-14/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23,24,25,27)
InChIKeyDDBNUUGAISIDIP-UHFFFAOYSA-N
XLogP2.78
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.78
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
N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
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
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 665804
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
4-[4-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]butylcarbamoyl]benzenesulfonyl fluoride
CID 145957791
6-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-N-hydroxyhexanamide
CID 166629234
1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 828537

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide (CID 127035804) is N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
The InChIKey is DDBNUUGAISIDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12(2)20-17-23-18(21-15(27)11-13-7-4-3-5-8-13)26-19(24-17)22-16(25-26)14-9-6-10-28-14/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23,24,25,27).
What are the key properties of N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide?
N-[2-(furan-2-yl)-5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide has a molecular weight of 377.41 g/mol, XLogP of 2.78, 6 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-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 127035804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).