4,6-diamino-1,3,5-triazine-2-carbohydrazide

C4H7N7O — CID 146317078

IUPAC4,6-diamino-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(N)n1
InChIInChI=1S/C4H7N7O/c5-3-8-1(2(12)11-7)9-4(6)10-3/h7H2,(H,11,12)(H4,5,6,8,9,10)
InChIKeyXEVLWGSPSSZQKJ-UHFFFAOYSA-N
MW169.15 g/mol
LogP-2.36
Rot. Bonds1

About 4,6-diamino-1,3,5-triazine-2-carbohydrazide

4,6-diamino-1,3,5-triazine-2-carbohydrazide (PubChem CID 146317078) has the molecular formula C4H7N7O and a molecular weight of 169.15 g/mol. Its IUPAC name is 4,6-diamino-1,3,5-triazine-2-carbohydrazide.

Molecular Properties

Compound Name4,6-diamino-1,3,5-triazine-2-carbohydrazide
PubChem CID146317078
Molecular FormulaC4H7N7O
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name4,6-diamino-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(N)n1
InChIInChI=1S/C4H7N7O/c5-3-8-1(2(12)11-7)9-4(6)10-3/h7H2,(H,11,12)(H4,5,6,8,9,10)
InChIKeyXEVLWGSPSSZQKJ-UHFFFAOYSA-N
XLogP-2.36
TPSA145.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbohydrazide
CID 602539
4-Amino-6-ethoxy-1,3,5-triazine-2-carbohydrazide
CID 588381
1,3,5-Triazine-2,4,6-tricarboxamide
CID 31854
1,3,5-Triazine-2-carbohydrazide
CID 21537408
6-Amino-1,3,5-triazine-2,4-dicarboxamide
CID 67444323
4,6-Diamino-1,3,5-triazine-2-carboxamide
CID 67444326
1,3,5-Triazine-2,4,6-tricarbohydrazide
CID 68618307
4,6-Dihydrazinyl-1,3,5-triazine-2-carbohydrazide
CID 178071062

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1,3,5-triazine-2-carbohydrazide?
The IUPAC name of 4,6-diamino-1,3,5-triazine-2-carbohydrazide (CID 146317078) is 4,6-diamino-1,3,5-triazine-2-carbohydrazide.
What is the SMILES notation for 4,6-diamino-1,3,5-triazine-2-carbohydrazide?
The canonical SMILES for 4,6-diamino-1,3,5-triazine-2-carbohydrazide is NNC(=O)c1nc(N)nc(N)n1.
What is the InChIKey of 4,6-diamino-1,3,5-triazine-2-carbohydrazide?
The InChIKey is XEVLWGSPSSZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N7O/c5-3-8-1(2(12)11-7)9-4(6)10-3/h7H2,(H,11,12)(H4,5,6,8,9,10).
What are the key properties of 4,6-diamino-1,3,5-triazine-2-carbohydrazide?
4,6-diamino-1,3,5-triazine-2-carbohydrazide has a molecular weight of 169.15 g/mol, XLogP of -2.36, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1,3,5-triazine-2-carbohydrazide is sourced from PubChem (CID 146317078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).