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

C14H23N7 — CID 80968521

IUPAC[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(CC)n(-c2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H23N7/c1-6-9-16-11(7-2)21(20-9)12-8-10(19-15)17-13(18-12)14(3,4)5/h8H,6-7,15H2,1-5H3,(H,17,18,19)
InChIKeyYVQBJGPSABBQKP-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.77
Rot. Bonds4

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

[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80968521) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80968521
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(CC)n(-c2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C14H23N7/c1-6-9-16-11(7-2)21(20-9)12-8-10(19-15)17-13(18-12)14(3,4)5/h8H,6-7,15H2,1-5H3,(H,17,18,19)
InChIKeyYVQBJGPSABBQKP-UHFFFAOYSA-N
XLogP1.77
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.77
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-6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-4-amine
CID 80956877
2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 80965269
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768588
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
CID 80867855
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966779
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964981
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
2-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine-4-carbonitrile
CID 83076611
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine (CID 80968521) is [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine is CCc1nc(CC)n(-c2cc(NN)nc(C(C)(C)C)n2)n1.
What is the InChIKey of [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is YVQBJGPSABBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-6-9-16-11(7-2)21(20-9)12-8-10(19-15)17-13(18-12)14(3,4)5/h8H,6-7,15H2,1-5H3,(H,17,18,19).
What are the key properties of [2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 289.39 g/mol, XLogP of 1.77, 4 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-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).