prop-2-enyl(1,3,5-triazin-2-yl)cyanamide

C7H7N5 — CID 88848466

IUPACprop-2-enyl(1,3,5-triazin-2-yl)cyanamide
SMILESC=CCN(C#N)c1ncncn1
InChIInChI=1S/C7H7N5/c1-2-3-12(4-8)7-10-5-9-6-11-7/h2,5-6H,1,3H2
InChIKeyITOXULURXXZPOK-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.35
Rot. Bonds3

About prop-2-enyl(1,3,5-triazin-2-yl)cyanamide

prop-2-enyl(1,3,5-triazin-2-yl)cyanamide (PubChem CID 88848466) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is prop-2-enyl(1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Nameprop-2-enyl(1,3,5-triazin-2-yl)cyanamide
PubChem CID88848466
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Nameprop-2-enyl(1,3,5-triazin-2-yl)cyanamide
SMILESC=CCN(C#N)c1ncncn1
InChIInChI=1S/C7H7N5/c1-2-3-12(4-8)7-10-5-9-6-11-7/h2,5-6H,1,3H2
InChIKeyITOXULURXXZPOK-UHFFFAOYSA-N
XLogP0.35
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl(1,3,5-triazin-2-yl)cyanamide with MolForge

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

Launch Full Analysis

Related Compounds

[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
CID 750966
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
4-N,4-N-dimethyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 298159
4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 19739695
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
Allyl-[1,3,5]triazin-2-yl-amine
CID 54016589
[Prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol
CID 70140826
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
CID 87733626
N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88680962
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
CID 88833490
(4-Chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
CID 88836842
2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 141366898

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl(1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of prop-2-enyl(1,3,5-triazin-2-yl)cyanamide (CID 88848466) is prop-2-enyl(1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for prop-2-enyl(1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for prop-2-enyl(1,3,5-triazin-2-yl)cyanamide is C=CCN(C#N)c1ncncn1.
What is the InChIKey of prop-2-enyl(1,3,5-triazin-2-yl)cyanamide?
The InChIKey is ITOXULURXXZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-2-3-12(4-8)7-10-5-9-6-11-7/h2,5-6H,1,3H2.
What are the key properties of prop-2-enyl(1,3,5-triazin-2-yl)cyanamide?
prop-2-enyl(1,3,5-triazin-2-yl)cyanamide has a molecular weight of 161.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl(1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 88848466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).