(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine

C10H13N7O — CID 80930532

IUPAC(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(OC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O/c11-16-8-13-9(17-6-2-5-12-17)15-10(14-8)18-7-3-1-4-7/h2,5-7H,1,3-4,11H2,(H,13,14,15,16)
InChIKeyQRQRPFZTCBMWHN-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.27
Rot. Bonds4

About (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine

(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80930532) has the molecular formula C10H13N7O and a molecular weight of 247.26 g/mol. Its IUPAC name is (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80930532
Molecular FormulaC10H13N7O
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(OC2CCC2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O/c11-16-8-13-9(17-6-2-5-12-17)15-10(14-8)18-7-3-1-4-7/h2,5-7H,1,3-4,11H2,(H,13,14,15,16)
InChIKeyQRQRPFZTCBMWHN-UHFFFAOYSA-N
XLogP0.27
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
[4-(2-cyclopropylethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 106207854
[4-(oxolan-2-ylmethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80913159
[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
4-cyclohexyloxy-N-(morpholin-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 164595853
(4-cyclohexyloxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80905831
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
(4-cyclopentyloxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazine
CID 80909749
[4-(2-fluorophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80909244
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
2-chloro-4-(oxetan-3-yloxy)-6-pyrazol-1-yl-1,3,5-triazine
CID 102606223

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine (CID 80930532) is (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(OC2CCC2)nc(-n2cccn2)n1.
What is the InChIKey of (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is QRQRPFZTCBMWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O/c11-16-8-13-9(17-6-2-5-12-17)15-10(14-8)18-7-3-1-4-7/h2,5-7H,1,3-4,11H2,(H,13,14,15,16).
What are the key properties of (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine?
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 247.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).