4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H16N8O — CID 80907252

IUPAC4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCOCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N8O/c12-18-10-15-9(14-8-2-6-20-7-3-8)16-11(17-10)19-5-1-4-13-19/h1,4-5,8H,2-3,6-7,12H2,(H2,14,15,16,17,18)
InChIKeyKMLUTFCOQVGAKO-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.07
Rot. Bonds4

About 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80907252) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80907252
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCOCC2)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N8O/c12-18-10-15-9(14-8-2-6-20-7-3-8)16-11(17-10)19-5-1-4-13-19/h1,4-5,8H,2-3,6-7,12H2,(H2,14,15,16,17,18)
InChIKeyKMLUTFCOQVGAKO-UHFFFAOYSA-N
XLogP-0.07
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.07
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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Launch Full Analysis

Related Compounds

N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853473
N-(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)morpholin-4-amine
CID 83027487
4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
CID 106198880
4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853918
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827140
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 115563123
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
[4-(oxolan-2-ylmethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80913159

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80907252) is 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is NNc1nc(NC2CCOCC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KMLUTFCOQVGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c12-18-10-15-9(14-8-2-6-20-7-3-8)16-11(17-10)19-5-1-4-13-19/h1,4-5,8H,2-3,6-7,12H2,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80907252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).