N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide

C4H7N5O2 — CID 137488011

IUPACN,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNN(N)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N5O2/c5-9(6)3(10)2-1-7-4(11)8-2/h1H,5-6H2,(H2,7,8,11)
InChIKeyHLWBCMIOFNAXHQ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.11
Rot. Bonds1

About N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide

N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 137488011) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID137488011
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC NameN,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNN(N)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N5O2/c5-9(6)3(10)2-1-7-4(11)8-2/h1H,5-6H2,(H2,7,8,11)
InChIKeyHLWBCMIOFNAXHQ-UHFFFAOYSA-N
XLogP-2.11
TPSA121.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 137488011) is N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide is NN(N)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is HLWBCMIOFNAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-9(6)3(10)2-1-7-4(11)8-2/h1H,5-6H2,(H2,7,8,11).
What are the key properties of N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 157.13 g/mol, XLogP of -2.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 137488011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).