N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide

C12H23N7O — CID 1240760

IUPACN'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H23N7O/c1-7(2)13-10-15-11(14-8(3)4)17-12(16-10)19(6)18-9(5)20/h7-8H,1-6H3,(H,18,20)(H2,13,14,15,16,17)
InChIKeyFDERPKHECVEOLO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.00
Rot. Bonds6

About N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide

N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide (PubChem CID 1240760) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide
PubChem CID1240760
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide
SMILESCC(=O)NN(C)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H23N7O/c1-7(2)13-10-15-11(14-8(3)4)17-12(16-10)19(6)18-9(5)20/h7-8H,1-6H3,(H,18,20)(H2,13,14,15,16,17)
InChIKeyFDERPKHECVEOLO-UHFFFAOYSA-N
XLogP1.00
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide 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 N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide?
The IUPAC name of N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide (CID 1240760) is N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide.
What is the SMILES notation for N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide?
The canonical SMILES for N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide is CC(=O)NN(C)c1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide?
The InChIKey is FDERPKHECVEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-7(2)13-10-15-11(14-8(3)4)17-12(16-10)19(6)18-9(5)20/h7-8H,1-6H3,(H,18,20)(H2,13,14,15,16,17).
What are the key properties of N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide?
N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide has a molecular weight of 281.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide is sourced from PubChem (CID 1240760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).