N-(1,3,5-triazinan-1-yl)prop-2-enamide

C6H12N4O — CID 172762737

IUPACN-(1,3,5-triazinan-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CNCNC1
InChIInChI=1S/C6H12N4O/c1-2-6(11)9-10-4-7-3-8-5-10/h2,7-8H,1,3-5H2,(H,9,11)
InChIKeyLXFHJRJSGRUTST-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.43
Rot. Bonds2

About N-(1,3,5-triazinan-1-yl)prop-2-enamide

N-(1,3,5-triazinan-1-yl)prop-2-enamide (PubChem CID 172762737) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(1,3,5-triazinan-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3,5-triazinan-1-yl)prop-2-enamide
PubChem CID172762737
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN-(1,3,5-triazinan-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CNCNC1
InChIInChI=1S/C6H12N4O/c1-2-6(11)9-10-4-7-3-8-5-10/h2,7-8H,1,3-5H2,(H,9,11)
InChIKeyLXFHJRJSGRUTST-UHFFFAOYSA-N
XLogP-1.43
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triacroylaminohexahydro-1,3,5-triazine
CID 68920315
2'-Methyl-2'-(N-methylcarbamoyl)acrylohydrazide
CID 113519
N-[1,2-bis(prop-2-enoylamino)-1,3,5-triazinan-2-yl]prop-2-enamide
CID 23035947

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazinan-1-yl)prop-2-enamide?
The IUPAC name of N-(1,3,5-triazinan-1-yl)prop-2-enamide (CID 172762737) is N-(1,3,5-triazinan-1-yl)prop-2-enamide.
What is the SMILES notation for N-(1,3,5-triazinan-1-yl)prop-2-enamide?
The canonical SMILES for N-(1,3,5-triazinan-1-yl)prop-2-enamide is C=CC(=O)NN1CNCNC1.
What is the InChIKey of N-(1,3,5-triazinan-1-yl)prop-2-enamide?
The InChIKey is LXFHJRJSGRUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-6(11)9-10-4-7-3-8-5-10/h2,7-8H,1,3-5H2,(H,9,11).
What are the key properties of N-(1,3,5-triazinan-1-yl)prop-2-enamide?
N-(1,3,5-triazinan-1-yl)prop-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazinan-1-yl)prop-2-enamide is sourced from PubChem (CID 172762737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).