azane;formamide

C2H9N3O2 — CID 87514751

IUPACazane;formamide
SMILESN.NC=O.NC=O
InChIInChI=1S/2CH3NO.H3N/c2*2-1-3;/h2*1H,(H2,2,3);1H3
InChIKeyAHRMEMMVAZXJBB-UHFFFAOYSA-N
MW107.11 g/mol
LogP-1.63
Rot. Bonds

About azane;formamide

azane;formamide (PubChem CID 87514751) has the molecular formula C2H9N3O2 and a molecular weight of 107.11 g/mol. Its IUPAC name is azane;formamide.

Molecular Properties

Compound Nameazane;formamide
PubChem CID87514751
Molecular FormulaC2H9N3O2
Molecular Weight107.11 g/mol
Exact Mass107.07
IUPAC Nameazane;formamide
SMILESN.NC=O.NC=O
InChIInChI=1S/2CH3NO.H3N/c2*2-1-3;/h2*1H,(H2,2,3);1H3
InChIKeyAHRMEMMVAZXJBB-UHFFFAOYSA-N
XLogP-1.63
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;formamide?
The IUPAC name of azane;formamide (CID 87514751) is azane;formamide.
What is the SMILES notation for azane;formamide?
The canonical SMILES for azane;formamide is N.NC=O.NC=O.
What is the InChIKey of azane;formamide?
The InChIKey is AHRMEMMVAZXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH3NO.H3N/c2*2-1-3;/h2*1H,(H2,2,3);1H3.
What are the key properties of azane;formamide?
azane;formamide has a molecular weight of 107.11 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formamide is sourced from PubChem (CID 87514751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).