N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide

C22H16N6O2 — CID 44590914

IUPACN-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H16N6O2/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29)
InChIKeyVXGZBOSUACBNQN-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.78
Rot. Bonds5

About N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide

N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide (PubChem CID 44590914) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide
PubChem CID44590914
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC NameN-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1
InChIInChI=1S/C22H16N6O2/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29)
InChIKeyVXGZBOSUACBNQN-UHFFFAOYSA-N
XLogP3.78
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943870
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]furan-2-carboxamide
CID 71723578
N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]furan-3-carboxamide
CID 71723579
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 934278
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495
N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
CID 4898808
N-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}furan-2-carboxamide
CID 655933
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
CID 664852
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687
2-Furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone
CID 3243388
{4-[2-(3-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 1434724

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide (CID 44590914) is N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide is O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccco1.
What is the InChIKey of N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide?
The InChIKey is VXGZBOSUACBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29).
What are the key properties of N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide?
N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 44590914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).