4-(2-methylpropyl)-5-propan-2-yl-2H-triazole

C9H17N3 — CID 69382477

IUPAC4-(2-methylpropyl)-5-propan-2-yl-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)5-8-9(7(3)4)11-12-10-8/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyISSNTAOLLTVKKC-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.13
Rot. Bonds3

About 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole

4-(2-methylpropyl)-5-propan-2-yl-2H-triazole (PubChem CID 69382477) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-propan-2-yl-2H-triazole
PubChem CID69382477
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-(2-methylpropyl)-5-propan-2-yl-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)5-8-9(7(3)4)11-12-10-8/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyISSNTAOLLTVKKC-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dipropyltriazol
CID 22974743
Diisopropyltriazol
CID 23402777
Bisoctyltriazol
CID 57434747
Cyclohexyl-ethyl-triazol
CID 129632066
4-(2,2-dimethylpropyl)-5-(trifluoromethyl)-2H-triazole
CID 69382293
4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole
CID 69383502
4-butyl-5-(trifluoromethyl)-2H-triazole
CID 69383967
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-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole?
The IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole (CID 69382477) is 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole.
What is the SMILES notation for 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole?
The canonical SMILES for 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole is CC(C)Cc1n[nH]nc1C(C)C.
What is the InChIKey of 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole?
The InChIKey is ISSNTAOLLTVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)5-8-9(7(3)4)11-12-10-8/h6-7H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole?
4-(2-methylpropyl)-5-propan-2-yl-2H-triazole has a molecular weight of 167.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-propan-2-yl-2H-triazole is sourced from PubChem (CID 69382477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).