1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one

C10H17N5O — CID 104601287

IUPAC1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1nccn1CCN1CCCN(N)C1=O
InChIInChI=1S/C10H17N5O/c1-9-12-3-6-13(9)7-8-14-4-2-5-15(11)10(14)16/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeyBDIHNJHOVNHLNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.19
Rot. Bonds3

About 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one

1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 104601287) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
PubChem CID104601287
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
SMILESCc1nccn1CCN1CCCN(N)C1=O
InChIInChI=1S/C10H17N5O/c1-9-12-3-6-13(9)7-8-14-4-2-5-15(11)10(14)16/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeyBDIHNJHOVNHLNW-UHFFFAOYSA-N
XLogP0.19
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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CID 130549375
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1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
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1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64879598
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one
CID 55216737
1-amino-3-(3-methoxypropyl)-1,3-diazinan-2-one
CID 104601247
1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662559
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one (CID 104601287) is 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one is Cc1nccn1CCN1CCCN(N)C1=O.
What is the InChIKey of 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is BDIHNJHOVNHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-9-12-3-6-13(9)7-8-14-4-2-5-15(11)10(14)16/h3,6H,2,4-5,7-8,11H2,1H3.
What are the key properties of 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one?
1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 104601287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).