2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide

C17H25N7O3 — CID 56717311

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
SMILESCc1cn(CC(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N7O3/c1-10(2)14(15-22-21-12-4-5-18-6-7-24(12)15)19-13(25)9-23-8-11(3)16(26)20-17(23)27/h8,10,14,18H,4-7,9H2,1-3H3,(H,19,25)(H,20,26,27)
InChIKeyQYKFIDMBFLAYQC-UHFFFAOYSA-N
MW375.43 g/mol
LogP-0.90
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide (PubChem CID 56717311) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
PubChem CID56717311
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide
SMILESCc1cn(CC(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N7O3/c1-10(2)14(15-22-21-12-4-5-18-6-7-24(12)15)19-13(25)9-23-8-11(3)16(26)20-17(23)27/h8,10,14,18H,4-7,9H2,1-3H3,(H,19,25)(H,20,26,27)
InChIKeyQYKFIDMBFLAYQC-UHFFFAOYSA-N
XLogP-0.90
TPSA126.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide (CID 56717311) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide is Cc1cn(CC(=O)NC(c2nnc3n2CCNCC3)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
The InChIKey is QYKFIDMBFLAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-10(2)14(15-22-21-12-4-5-18-6-7-24(12)15)19-13(25)9-23-8-11(3)16(26)20-17(23)27/h8,10,14,18H,4-7,9H2,1-3H3,(H,19,25)(H,20,26,27).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)propyl]acetamide is sourced from PubChem (CID 56717311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).