4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide

C23H21N7O — CID 126480574

IUPAC4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)nc1C1(c2ccccc2)CC1
InChIInChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31)
InChIKeyOASVVQQPBXNNOH-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.70
Rot. Bonds5

About 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide

4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide (PubChem CID 126480574) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
PubChem CID126480574
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)nc1C1(c2ccccc2)CC1
InChIInChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31)
InChIKeyOASVVQQPBXNNOH-UHFFFAOYSA-N
XLogP2.70
TPSA125.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide (CID 126480574) is 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide is Cn1nc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)nc1C1(c2ccccc2)CC1.
What is the InChIKey of 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is OASVVQQPBXNNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31).
What are the key properties of 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide?
4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 126480574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).