5-butyl-4-tert-butyl-2H-triazole

C10H19N3 — CID 69381680

IUPAC5-butyl-4-tert-butyl-2H-triazole
SMILESCCCCc1n[nH]nc1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-5-6-7-8-9(10(2,3)4)12-13-11-8/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyDNQRZMSIRPSHIS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds3

About 5-butyl-4-tert-butyl-2H-triazole

5-butyl-4-tert-butyl-2H-triazole (PubChem CID 69381680) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-butyl-4-tert-butyl-2H-triazole.

Molecular Properties

Compound Name5-butyl-4-tert-butyl-2H-triazole
PubChem CID69381680
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-butyl-4-tert-butyl-2H-triazole
SMILESCCCCc1n[nH]nc1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-5-6-7-8-9(10(2,3)4)12-13-11-8/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyDNQRZMSIRPSHIS-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dipropyltriazol
CID 22974743
Bisoctyltriazol
CID 57434747
Cyclohexyl-ethyl-triazol
CID 129632066
4-(2,2-dimethylpropyl)-5-(trifluoromethyl)-2H-triazole
CID 69382293
4-(2-methylpropyl)-5-(1,1,2,2,2-pentafluoroethyl)-2H-triazole
CID 87803939
4-(2,2-dimethylpropyl)-5-(1,1,2,2,2-pentafluoroethyl)-2H-triazole
CID 87806104
4-(1,1-difluoropropyl)-5-propyl-2H-triazole
CID 145215967
9,9-Difluoro-6-propan-2-yl-2,4,5,6,7,8-hexahydrocycloocta[d]triazole
CID 156234660
4-Butan-2-yl-4-fluoro-2,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 169604521
4-[(2R)-butan-2-yl]-4-fluoro-2,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 169604771
4-Fluoro-4-(2-methylbutan-2-yl)-2,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 169604915
9,9-Difluoro-6-methyl-2,4,5,6,7,8-hexahydrocycloocta[d]triazole
CID 170359073

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-tert-butyl-2H-triazole?
The IUPAC name of 5-butyl-4-tert-butyl-2H-triazole (CID 69381680) is 5-butyl-4-tert-butyl-2H-triazole.
What is the SMILES notation for 5-butyl-4-tert-butyl-2H-triazole?
The canonical SMILES for 5-butyl-4-tert-butyl-2H-triazole is CCCCc1n[nH]nc1C(C)(C)C.
What is the InChIKey of 5-butyl-4-tert-butyl-2H-triazole?
The InChIKey is DNQRZMSIRPSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-6-7-8-9(10(2,3)4)12-13-11-8/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of 5-butyl-4-tert-butyl-2H-triazole?
5-butyl-4-tert-butyl-2H-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-tert-butyl-2H-triazole is sourced from PubChem (CID 69381680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).