[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine

C13H21N7 — CID 81000939

IUPAC[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2nc(C(C)(C)C)nc(NN)c2C)n1
InChIInChI=1S/C13H21N7/c1-7-10(18-14)16-12(13(4,5)6)17-11(7)20-9(3)15-8(2)19-20/h14H2,1-6H3,(H,16,17,18)
InChIKeyXKWUHZQATUZJBC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.57
Rot. Bonds2

About [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81000939) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81000939
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C)n(-c2nc(C(C)(C)C)nc(NN)c2C)n1
InChIInChI=1S/C13H21N7/c1-7-10(18-14)16-12(13(4,5)6)17-11(7)20-9(3)15-8(2)19-20/h14H2,1-6H3,(H,16,17,18)
InChIKeyXKWUHZQATUZJBC-UHFFFAOYSA-N
XLogP1.57
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
CID 81001897
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 81005936
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 81000899
2-tert-butyl-N-(3-ethylpentan-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007026
2-tert-butyl-N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 104830685
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine (CID 81000939) is [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine is Cc1nc(C)n(-c2nc(C(C)(C)C)nc(NN)c2C)n1.
What is the InChIKey of [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is XKWUHZQATUZJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-7-10(18-14)16-12(13(4,5)6)17-11(7)20-9(3)15-8(2)19-20/h14H2,1-6H3,(H,16,17,18).
What are the key properties of [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 275.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).