N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide

C11H16N4O2 — CID 68640943

IUPACN'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
SMILESCNNC(=O)c1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C11H16N4O2/c1-12-14-11(17)8-7-10(16)15-6-4-2-3-5-9(15)13-8/h7,12H,2-6H2,1H3,(H,14,17)
InChIKeyACEYDGSPZJWVCW-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.17
Rot. Bonds2

About N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide

N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide (PubChem CID 68640943) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
PubChem CID68640943
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
SMILESCNNC(=O)c1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C11H16N4O2/c1-12-14-11(17)8-7-10(16)15-6-4-2-3-5-9(15)13-8/h7,12H,2-6H2,1H3,(H,14,17)
InChIKeyACEYDGSPZJWVCW-UHFFFAOYSA-N
XLogP-0.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide;hydrochloride
CID 68640942
N'-methyl-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carbohydrazide
CID 90708726
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 91388837
2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one
CID 154868300

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide?
The IUPAC name of N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide (CID 68640943) is N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide.
What is the SMILES notation for N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide?
The canonical SMILES for N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide is CNNC(=O)c1cc(=O)n2c(n1)CCCCC2.
What is the InChIKey of N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide?
The InChIKey is ACEYDGSPZJWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-14-11(17)8-7-10(16)15-6-4-2-3-5-9(15)13-8/h7,12H,2-6H2,1H3,(H,14,17).
What are the key properties of N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide?
N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide has a molecular weight of 236.27 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide is sourced from PubChem (CID 68640943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).