4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole

C12H25N3 — CID 69385016

IUPAC4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
SMILESCCCCN1C=NN(C(C)C)C1CCC
InChIInChI=1S/C12H25N3/c1-5-7-9-14-10-13-15(11(3)4)12(14)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeySLUBWBCFLIENFS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds6

About 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole

4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole (PubChem CID 69385016) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
PubChem CID69385016
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
SMILESCCCCN1C=NN(C(C)C)C1CCC
InChIInChI=1S/C12H25N3/c1-5-7-9-14-10-13-15(11(3)4)12(14)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeySLUBWBCFLIENFS-UHFFFAOYSA-N
XLogP2.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-propan-2-yl-3-propyl-3H-1,2,4-triazole-4-carbonitrile
CID 87804498
4-butyl-3-ethyl-2-methyl-3H-1,2,4-triazole
CID 69381874
2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
CID 69382114
2-hexyl-4-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69388534
2-butyl-4-chloro-3-propyl-3H-1,2,4-triazole
CID 87804672
4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
CID 69388585
1-heptadecyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69393492
2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole
CID 69387208
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
CID 69388828
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
2-propyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69387822
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole?
The IUPAC name of 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole (CID 69385016) is 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole.
What is the SMILES notation for 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole?
The canonical SMILES for 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole is CCCCN1C=NN(C(C)C)C1CCC.
What is the InChIKey of 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole?
The InChIKey is SLUBWBCFLIENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-7-9-14-10-13-15(11(3)4)12(14)8-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole?
4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole has a molecular weight of 211.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole is sourced from PubChem (CID 69385016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).