N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine

C15H32N6 — CID 105239298

IUPACN,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C15H32N6/c1-7-20(8-2)15(5,6)13(19-16)9-14-17-11-18-21(14)10-12(3)4/h11-13,19H,7-10,16H2,1-6H3
InChIKeyVCTDJWMTKJRAEI-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.43
Rot. Bonds9

About N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine

N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine (PubChem CID 105239298) has the molecular formula C15H32N6 and a molecular weight of 296.46 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
PubChem CID105239298
Molecular FormulaC15H32N6
Molecular Weight296.46 g/mol
Exact Mass296.27
IUPAC NameN,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C15H32N6/c1-7-20(8-2)15(5,6)13(19-16)9-14-17-11-18-21(14)10-12(3)4/h11-13,19H,7-10,16H2,1-6H3
InChIKeyVCTDJWMTKJRAEI-UHFFFAOYSA-N
XLogP1.43
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.43
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

N,N-diethyl-3-hydrazinyl-2-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105239377
N,N,3-triethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydrazinylpentan-3-amine
CID 105242029
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
CID 79063621
N,3-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000003
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
3-ethyl-3-methoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 116752928

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine (CID 105239298) is N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine is CCN(CC)C(C)(C)C(Cc1ncnn1CC(C)C)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The InChIKey is VCTDJWMTKJRAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N6/c1-7-20(8-2)15(5,6)13(19-16)9-14-17-11-18-21(14)10-12(3)4/h11-13,19H,7-10,16H2,1-6H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine has a molecular weight of 296.46 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine is sourced from PubChem (CID 105239298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).