CID 139245380

C6H10N3O3 — CID 139245380

IUPAC—
SMILESCC(=O)NC([CH]C(N)=O)C(N)=O
InChIInChI=1S/C6H10N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h2,4H,1H3,(H2,7,11)(H2,8,12)(H,9,10)
InChIKeyWMPKZTOZKMWCRI-UHFFFAOYSA-N
MW172.16 g/mol
LogP-2.33
Rot. Bonds4

About CID 139245380

CID 139245380 (PubChem CID 139245380) has the molecular formula C6H10N3O3 and a molecular weight of 172.16 g/mol.

Molecular Properties

Compound NameCID 139245380
PubChem CID139245380
Molecular FormulaC6H10N3O3
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name—
SMILESCC(=O)NC([CH]C(N)=O)C(N)=O
InChIInChI=1S/C6H10N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h2,4H,1H3,(H2,7,11)(H2,8,12)(H,9,10)
InChIKeyWMPKZTOZKMWCRI-UHFFFAOYSA-N
XLogP-2.33
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 139245380?
The IUPAC name of CID 139245380 (CID 139245380) is not available.
What is the SMILES notation for CID 139245380?
The canonical SMILES for CID 139245380 is CC(=O)NC([CH]C(N)=O)C(N)=O.
What is the InChIKey of CID 139245380?
The InChIKey is WMPKZTOZKMWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h2,4H,1H3,(H2,7,11)(H2,8,12)(H,9,10).
What are the key properties of CID 139245380?
CID 139245380 has a molecular weight of 172.16 g/mol, XLogP of -2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245380 is sourced from PubChem (CID 139245380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).