[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine

C10H21N5O — CID 107066668

IUPAC[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cn(C)nn1)NN
InChIInChI=1S/C10H21N5O/c1-3-5-16-6-4-9(12-11)7-10-8-15(2)14-13-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGUSKTGHBOWGKJN-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.01
Rot. Bonds8

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

[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 107066668) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
PubChem CID107066668
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1cn(C)nn1)NN
InChIInChI=1S/C10H21N5O/c1-3-5-16-6-4-9(12-11)7-10-8-15(2)14-13-10/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGUSKTGHBOWGKJN-UHFFFAOYSA-N
XLogP0.01
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481
N-methyl-1-(1-methyltriazol-4-yl)-3-propoxypropan-2-amine
CID 107048866
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
[4-methyl-1-(1-methyltriazol-4-yl)hexan-2-yl]hydrazine
CID 107066542
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
CID 107066634
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107063863
[1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105324383
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
[1-(1-ethylimidazol-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105321842
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine (CID 107066668) is [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1cn(C)nn1)NN.
What is the InChIKey of [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is GUSKTGHBOWGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-3-5-16-6-4-9(12-11)7-10-8-15(2)14-13-10/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine?
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 227.31 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 107066668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).