N-methyldiazinane-3-carboxamide

C6H13N3O — CID 19386818

IUPACN-methyldiazinane-3-carboxamide
SMILESCNC(=O)C1CCCNN1
InChIInChI=1S/C6H13N3O/c1-7-6(10)5-3-2-4-8-9-5/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyFIKKLIGTDAORBG-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.01
Rot. Bonds1

About N-methyldiazinane-3-carboxamide

N-methyldiazinane-3-carboxamide (PubChem CID 19386818) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methyldiazinane-3-carboxamide.

Molecular Properties

Compound NameN-methyldiazinane-3-carboxamide
PubChem CID19386818
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-methyldiazinane-3-carboxamide
SMILESCNC(=O)C1CCCNN1
InChIInChI=1S/C6H13N3O/c1-7-6(10)5-3-2-4-8-9-5/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyFIKKLIGTDAORBG-UHFFFAOYSA-N
XLogP-1.01
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyldiazinane-3-carboxamide?
The IUPAC name of N-methyldiazinane-3-carboxamide (CID 19386818) is N-methyldiazinane-3-carboxamide.
What is the SMILES notation for N-methyldiazinane-3-carboxamide?
The canonical SMILES for N-methyldiazinane-3-carboxamide is CNC(=O)C1CCCNN1.
What is the InChIKey of N-methyldiazinane-3-carboxamide?
The InChIKey is FIKKLIGTDAORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-7-6(10)5-3-2-4-8-9-5/h5,8-9H,2-4H2,1H3,(H,7,10).
What are the key properties of N-methyldiazinane-3-carboxamide?
N-methyldiazinane-3-carboxamide has a molecular weight of 143.19 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldiazinane-3-carboxamide is sourced from PubChem (CID 19386818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).