4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide

C8H15N7O — CID 826430

IUPAC4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide
SMILESCCNc1nc(NCC)nc(C(=O)NN)n1
InChIInChI=1S/C8H15N7O/c1-3-10-7-12-5(6(16)15-9)13-8(14-7)11-4-2/h3-4,9H2,1-2H3,(H,15,16)(H2,10,11,12,13,14)
InChIKeyDJFDYAHDZXILCI-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.66
Rot. Bonds5

About 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide

4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide (PubChem CID 826430) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide.

Molecular Properties

Compound Name4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide
PubChem CID826430
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide
SMILESCCNc1nc(NCC)nc(C(=O)NN)n1
InChIInChI=1S/C8H15N7O/c1-3-10-7-12-5(6(16)15-9)13-8(14-7)11-4-2/h3-4,9H2,1-2H3,(H,15,16)(H2,10,11,12,13,14)
InChIKeyDJFDYAHDZXILCI-UHFFFAOYSA-N
XLogP-0.66
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.66
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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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide?
The IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide (CID 826430) is 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide.
What is the SMILES notation for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide?
The canonical SMILES for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide is CCNc1nc(NCC)nc(C(=O)NN)n1.
What is the InChIKey of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide?
The InChIKey is DJFDYAHDZXILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-3-10-7-12-5(6(16)15-9)13-8(14-7)11-4-2/h3-4,9H2,1-2H3,(H,15,16)(H2,10,11,12,13,14).
What are the key properties of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide?
4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide has a molecular weight of 225.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbohydrazide is sourced from PubChem (CID 826430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).