1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide

C14H19N7O2 — CID 173085375

IUPAC1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCc1nnc2n1CCN(C(=O)C(C)(C)n1ccnc1C(N)=O)C2
InChIInChI=1S/C14H19N7O2/c1-9-17-18-10-8-19(6-7-20(9)10)13(23)14(2,3)21-5-4-16-12(21)11(15)22/h4-5H,6-8H2,1-3H3,(H2,15,22)
InChIKeyFDTLTKOXQXIYCQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.34
Rot. Bonds3

About 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide

1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide (PubChem CID 173085375) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide
PubChem CID173085375
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCc1nnc2n1CCN(C(=O)C(C)(C)n1ccnc1C(N)=O)C2
InChIInChI=1S/C14H19N7O2/c1-9-17-18-10-8-19(6-7-20(9)10)13(23)14(2,3)21-5-4-16-12(21)11(15)22/h4-5H,6-8H2,1-3H3,(H2,15,22)
InChIKeyFDTLTKOXQXIYCQ-UHFFFAOYSA-N
XLogP-0.34
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide?
The IUPAC name of 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide (CID 173085375) is 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide is Cc1nnc2n1CCN(C(=O)C(C)(C)n1ccnc1C(N)=O)C2.
What is the InChIKey of 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide?
The InChIKey is FDTLTKOXQXIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-9-17-18-10-8-19(6-7-20(9)10)13(23)14(2,3)21-5-4-16-12(21)11(15)22/h4-5H,6-8H2,1-3H3,(H2,15,22).
What are the key properties of 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide?
1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 173085375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).