1-[2-(diaminomethylideneamino)ethyl]-3-methylurea

C5H13N5O — CID 121342487

IUPAC1-[2-(diaminomethylideneamino)ethyl]-3-methylurea
SMILESCNC(=O)NCCN=C(N)N
InChIInChI=1S/C5H13N5O/c1-8-5(11)10-3-2-9-4(6)7/h2-3H2,1H3,(H4,6,7,9)(H2,8,10,11)
InChIKeyZSOGAPCVKDGAFE-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.81
Rot. Bonds3

About 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea

1-[2-(diaminomethylideneamino)ethyl]-3-methylurea (PubChem CID 121342487) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(diaminomethylideneamino)ethyl]-3-methylurea
PubChem CID121342487
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name1-[2-(diaminomethylideneamino)ethyl]-3-methylurea
SMILESCNC(=O)NCCN=C(N)N
InChIInChI=1S/C5H13N5O/c1-8-5(11)10-3-2-9-4(6)7/h2-3H2,1H3,(H4,6,7,9)(H2,8,10,11)
InChIKeyZSOGAPCVKDGAFE-UHFFFAOYSA-N
XLogP-1.81
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea (CID 121342487) is 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea is CNC(=O)NCCN=C(N)N.
What is the InChIKey of 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea?
The InChIKey is ZSOGAPCVKDGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-8-5(11)10-3-2-9-4(6)7/h2-3H2,1H3,(H4,6,7,9)(H2,8,10,11).
What are the key properties of 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea?
1-[2-(diaminomethylideneamino)ethyl]-3-methylurea has a molecular weight of 159.19 g/mol, XLogP of -1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diaminomethylideneamino)ethyl]-3-methylurea is sourced from PubChem (CID 121342487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).