[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

C10H21N5O — CID 105206476

IUPAC[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(CCOC)NN
InChIInChI=1S/C10H21N5O/c1-3-5-15-10(12-8-13-15)7-9(14-11)4-6-16-2/h8-9,14H,3-7,11H2,1-2H3
InChIKeyMKJXQZCRCWDWTA-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.10
Rot. Bonds8

About [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (PubChem CID 105206476) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
PubChem CID105206476
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(CCOC)NN
InChIInChI=1S/C10H21N5O/c1-3-5-15-10(12-8-13-15)7-9(14-11)4-6-16-2/h8-9,14H,3-7,11H2,1-2H3
InChIKeyMKJXQZCRCWDWTA-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[1-(2-ethyl-1,2,4-triazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225076
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
[1-(2-propyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211942
[1-(3-methoxyphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105205278
[1-(4-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105236753
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
[5-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105318513

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (CID 105206476) is [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is CCCn1ncnc1CC(CCOC)NN.
What is the InChIKey of [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is MKJXQZCRCWDWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-3-5-15-10(12-8-13-15)7-9(14-11)4-6-16-2/h8-9,14H,3-7,11H2,1-2H3.
What are the key properties of [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 227.31 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105206476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).