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

C16H21N7O — CID 56720819

IUPACN-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1CCN(c1ncnc3c1CCC3)CC2
InChIInChI=1S/C16H21N7O/c1-11(24)17-9-15-21-20-14-5-6-22(7-8-23(14)15)16-12-3-2-4-13(12)18-10-19-16/h10H,2-9H2,1H3,(H,17,24)
InChIKeyMGHGSCJWLDSJKL-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.26
Rot. Bonds3

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

N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide (PubChem CID 56720819) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
PubChem CID56720819
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1CCN(c1ncnc3c1CCC3)CC2
InChIInChI=1S/C16H21N7O/c1-11(24)17-9-15-21-20-14-5-6-22(7-8-23(14)15)16-12-3-2-4-13(12)18-10-19-16/h10H,2-9H2,1H3,(H,17,24)
InChIKeyMGHGSCJWLDSJKL-UHFFFAOYSA-N
XLogP0.26
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The IUPAC name of N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide (CID 56720819) is N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide is CC(=O)NCc1nnc2n1CCN(c1ncnc3c1CCC3)CC2.
What is the InChIKey of N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The InChIKey is MGHGSCJWLDSJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11(24)17-9-15-21-20-14-5-6-22(7-8-23(14)15)16-12-3-2-4-13(12)18-10-19-16/h10H,2-9H2,1H3,(H,17,24).
What are the key properties of N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide is sourced from PubChem (CID 56720819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).