2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole

C11H23N3 — CID 69386554

IUPAC2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole
SMILESCCN1N=CN(CC(C)C)C1C(C)C
InChIInChI=1S/C11H23N3/c1-6-14-11(10(4)5)13(8-12-14)7-9(2)3/h8-11H,6-7H2,1-5H3
InChIKeyFDCGZUPYNKVLDI-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.21
Rot. Bonds4

About 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole

2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole (PubChem CID 69386554) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole
PubChem CID69386554
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole
SMILESCCN1N=CN(CC(C)C)C1C(C)C
InChIInChI=1S/C11H23N3/c1-6-14-11(10(4)5)13(8-12-14)7-9(2)3/h8-11H,6-7H2,1-5H3
InChIKeyFDCGZUPYNKVLDI-UHFFFAOYSA-N
XLogP2.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
CID 69382114
4-(2-methylpropyl)-3-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3H-1,2,4-triazole
CID 87804078
2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile
CID 69388856
4-(1,1,2,2,2-pentachloroethyl)-3-propan-2-yl-2-propyl-3H-1,2,4-triazole
CID 69381848
2,4-diethyl-3-(1,1,2,2,2-pentafluoroethyl)-3H-1,2,4-triazole
CID 87805897
2-ethyl-3-(2-methylpropyl)-3H-1,2,4-triazole-4-carbonitrile
CID 87804786
3-propan-2-yl-2-propyl-4-(trichloromethyl)-3H-1,2,4-triazole
CID 69404445
4-(2-methylpropyl)-3-(1,1,2,2,2-pentachloroethyl)-2-propan-2-yl-3H-1,2,4-triazole
CID 69383838
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
1,3-bis(2-methylpropyl)-2H-imidazol-2-ol
CID 89024468
1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
CID 69394898
4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
CID 69388585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole?
The IUPAC name of 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole (CID 69386554) is 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole.
What is the SMILES notation for 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole?
The canonical SMILES for 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole is CCN1N=CN(CC(C)C)C1C(C)C.
What is the InChIKey of 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole?
The InChIKey is FDCGZUPYNKVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-14-11(10(4)5)13(8-12-14)7-9(2)3/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole?
2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 197.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 69386554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).