N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide

C12H16N6O3 — CID 69136888

IUPACN-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1N(NC(=O)C=C)C=NCN1NC(=O)C=C
InChIInChI=1S/C12H16N6O3/c1-4-9(19)14-12-17(15-10(20)5-2)7-13-8-18(12)16-11(21)6-3/h4-7,12H,1-3,8H2,(H,14,19)(H,15,20)(H,16,21)
InChIKeySQQJGAXTGGYWNV-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.39
Rot. Bonds6

About N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide

N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide (PubChem CID 69136888) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide
PubChem CID69136888
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1N(NC(=O)C=C)C=NCN1NC(=O)C=C
InChIInChI=1S/C12H16N6O3/c1-4-9(19)14-12-17(15-10(20)5-2)7-13-8-18(12)16-11(21)6-3/h4-7,12H,1-3,8H2,(H,14,19)(H,15,20)(H,16,21)
InChIKeySQQJGAXTGGYWNV-UHFFFAOYSA-N
XLogP-1.39
TPSA106.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide?
The IUPAC name of N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide (CID 69136888) is N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide?
The canonical SMILES for N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide is C=CC(=O)NC1N(NC(=O)C=C)C=NCN1NC(=O)C=C.
What is the InChIKey of N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide?
The InChIKey is SQQJGAXTGGYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-4-9(19)14-12-17(15-10(20)5-2)7-13-8-18(12)16-11(21)6-3/h4-7,12H,1-3,8H2,(H,14,19)(H,15,20)(H,16,21).
What are the key properties of N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide?
N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide has a molecular weight of 292.30 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(prop-2-enoylamino)-2,4-dihydro-1,3,5-triazin-2-yl]prop-2-enamide is sourced from PubChem (CID 69136888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).