ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole

C11H25N3 — CID 153344049

IUPACethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC.CC.CCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C7H13N3.2C2H6/c1-4-6-8-7(5(2)3)10-9-6;2*1-2/h5H,4H2,1-3H3,(H,8,9,10);2*1-2H3
InChIKeyMFKYOOWTHPIHJX-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.54
Rot. Bonds2

About ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole

ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole (PubChem CID 153344049) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
PubChem CID153344049
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Nameethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC.CC.CCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C7H13N3.2C2H6/c1-4-6-8-7(5(2)3)10-9-6;2*1-2/h5H,4H2,1-3H3,(H,8,9,10);2*1-2H3
InChIKeyMFKYOOWTHPIHJX-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 131930055
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 17028193
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine
CID 115897107
5-[(4-fluorophenyl)methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 61337115
3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
CID 154652840
(1R)-2-[[(2R)-2-amino-2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]disulfanyl]-1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 90193582
ethyl 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167960043
1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 79411817
5-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentanoic acid
CID 61346928
5-(phenylsulfanylmethyl)-3-propan-2-yl-1H-1,2,4-triazole
CID 79217465

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole (CID 153344049) is ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole is CC.CC.CCc1nc(C(C)C)n[nH]1.
What is the InChIKey of ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is MFKYOOWTHPIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2C2H6/c1-4-6-8-7(5(2)3)10-9-6;2*1-2/h5H,4H2,1-3H3,(H,8,9,10);2*1-2H3.
What are the key properties of ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole?
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 199.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 153344049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).