6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C11H19N9 — CID 114250772

IUPAC6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(NN)nc(N(C)C)n2)n1
InChIInChI=1S/C11H19N9/c1-7(2)20-6-5-8(18-20)13-9-14-10(17-12)16-11(15-9)19(3)4/h5-7H,12H2,1-4H3,(H2,13,14,15,16,17,18)
InChIKeyAGSPKBKCEWGGJZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.74
Rot. Bonds5

About 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine

6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 114250772) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID114250772
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(NN)nc(N(C)C)n2)n1
InChIInChI=1S/C11H19N9/c1-7(2)20-6-5-8(18-20)13-9-14-10(17-12)16-11(15-9)19(3)4/h5-7H,12H2,1-4H3,(H2,13,14,15,16,17,18)
InChIKeyAGSPKBKCEWGGJZ-UHFFFAOYSA-N
XLogP0.74
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 114250772) is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CC(C)n1ccc(Nc2nc(NN)nc(N(C)C)n2)n1.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AGSPKBKCEWGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-7(2)20-6-5-8(18-20)13-9-14-10(17-12)16-11(15-9)19(3)4/h5-7H,12H2,1-4H3,(H2,13,14,15,16,17,18).
What are the key properties of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 277.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-propan-2-ylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114250772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).