2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide

C12H20N10O2 — CID 171977461

IUPAC2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide
SMILES[H]/N=C1\N(CC(=O)NN)C(=O)CN1c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H20N10O2/c1-19(2)10-15-11(20(3)4)17-12(16-10)22-6-8(24)21(9(22)13)5-7(23)18-14/h13H,5-6,14H2,1-4H3,(H,18,23)/b13-9+
InChIKeyLSPBBPWYRFKNQT-UKTHLTGXSA-N
MW336.36 g/mol
LogP-2.42
Rot. Bonds5

About 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide

2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide (PubChem CID 171977461) has the molecular formula C12H20N10O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide
PubChem CID171977461
Molecular FormulaC12H20N10O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide
SMILES[H]/N=C1\N(CC(=O)NN)C(=O)CN1c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H20N10O2/c1-19(2)10-15-11(20(3)4)17-12(16-10)22-6-8(24)21(9(22)13)5-7(23)18-14/h13H,5-6,14H2,1-4H3,(H,18,23)/b13-9+
InChIKeyLSPBBPWYRFKNQT-UKTHLTGXSA-N
XLogP-2.42
TPSA147.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one
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CID 80808876
6-amino-4-(dimethylamino)-1-(2-hydroxyethyl)-1,3,5-triazin-2-one
CID 910986
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
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4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide?
The IUPAC name of 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide (CID 171977461) is 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide?
The canonical SMILES for 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide is [H]/N=C1\N(CC(=O)NN)C(=O)CN1c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide?
The InChIKey is LSPBBPWYRFKNQT-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H20N10O2/c1-19(2)10-15-11(20(3)4)17-12(16-10)22-6-8(24)21(9(22)13)5-7(23)18-14/h13H,5-6,14H2,1-4H3,(H,18,23)/b13-9+.
What are the key properties of 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide?
2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide has a molecular weight of 336.36 g/mol, XLogP of -2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetohydrazide is sourced from PubChem (CID 171977461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).