[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine

C13H22N6S — CID 105214674

IUPAC[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nc(CC(Cc2ncnn2CC(C)C)NN)cs1
InChIInChI=1S/C13H22N6S/c1-9(2)6-19-13(15-8-16-19)5-11(18-14)4-12-7-20-10(3)17-12/h7-9,11,18H,4-6,14H2,1-3H3
InChIKeyMHTXFQONDATEPZ-UHFFFAOYSA-N
MW294.43 g/mol
LogP1.32
Rot. Bonds7

About [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine

[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine (PubChem CID 105214674) has the molecular formula C13H22N6S and a molecular weight of 294.43 g/mol. Its IUPAC name is [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
PubChem CID105214674
Molecular FormulaC13H22N6S
Molecular Weight294.43 g/mol
Exact Mass294.16
IUPAC Name[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
SMILESCc1nc(CC(Cc2ncnn2CC(C)C)NN)cs1
InChIInChI=1S/C13H22N6S/c1-9(2)6-19-13(15-8-16-19)5-11(18-14)4-12-7-20-10(3)17-12/h7-9,11,18H,4-6,14H2,1-3H3
InChIKeyMHTXFQONDATEPZ-UHFFFAOYSA-N
XLogP1.32
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 51.32
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

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
CID 103152003
3-[2-hydrazinyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]pyridin-4-amine
CID 105214811
2-hydrazinyl-N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 105244854
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
[1-(2,6-dimethylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214705
[4-ethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-yl]hydrazine
CID 105214789
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260503
[1-(2,6-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214796

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine (CID 105214674) is [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine is Cc1nc(CC(Cc2ncnn2CC(C)C)NN)cs1.
What is the InChIKey of [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine?
The InChIKey is MHTXFQONDATEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6S/c1-9(2)6-19-13(15-8-16-19)5-11(18-14)4-12-7-20-10(3)17-12/h7-9,11,18H,4-6,14H2,1-3H3.
What are the key properties of [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine?
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine has a molecular weight of 294.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).