[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine

C12H25N5 — CID 107066634

IUPAC[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
SMILESCCCC(CCC)C(Cc1cn(C)nn1)NN
InChIInChI=1S/C12H25N5/c1-4-6-10(7-5-2)12(14-13)8-11-9-17(3)16-15-11/h9-10,12,14H,4-8,13H2,1-3H3
InChIKeyVPFNPUPFEHTCJW-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.41
Rot. Bonds8

About [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine

[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine (PubChem CID 107066634) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
PubChem CID107066634
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
SMILESCCCC(CCC)C(Cc1cn(C)nn1)NN
InChIInChI=1S/C12H25N5/c1-4-6-10(7-5-2)12(14-13)8-11-9-17(3)16-15-11/h9-10,12,14H,4-8,13H2,1-3H3
InChIKeyVPFNPUPFEHTCJW-UHFFFAOYSA-N
XLogP1.41
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
[4-methyl-1-(1-methyltriazol-4-yl)hexan-2-yl]hydrazine
CID 107066542
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
4-(3-chloro-2-ethylbutyl)-1-methyltriazole
CID 107052371
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine?
The IUPAC name of [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine (CID 107066634) is [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine is CCCC(CCC)C(Cc1cn(C)nn1)NN.
What is the InChIKey of [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine?
The InChIKey is VPFNPUPFEHTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-4-6-10(7-5-2)12(14-13)8-11-9-17(3)16-15-11/h9-10,12,14H,4-8,13H2,1-3H3.
What are the key properties of [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine?
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine has a molecular weight of 239.37 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine is sourced from PubChem (CID 107066634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).