1,5-dibutyl-4-(2,2-dimethylpropyl)triazole

C15H29N3 — CID 69384495

IUPAC1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
SMILESCCCCc1c(CC(C)(C)C)nnn1CCCC
InChIInChI=1S/C15H29N3/c1-6-8-10-14-13(12-15(3,4)5)16-17-18(14)11-9-7-2/h6-12H2,1-5H3
InChIKeyVXOUAXRIDXCVPU-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.01
Rot. Bonds7

About 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole

1,5-dibutyl-4-(2,2-dimethylpropyl)triazole (PubChem CID 69384495) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole.

Molecular Properties

Compound Name1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
PubChem CID69384495
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
SMILESCCCCc1c(CC(C)(C)C)nnn1CCCC
InChIInChI=1S/C15H29N3/c1-6-8-10-14-13(12-15(3,4)5)16-17-18(14)11-9-7-2/h6-12H2,1-5H3
InChIKeyVXOUAXRIDXCVPU-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-4-(2,2-dimethylpropyl)-1-hexyltriazole
CID 69383681
1-butyl-5-(2,2-dimethylpropyl)-4-propyltriazole
CID 69383979
5-bromo-1-butyl-4-(2,2-dimethylpropyl)triazole
CID 69382583
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
1-butyl-5-(2,2-dimethylpropyl)triazole-4-carbonitrile
CID 69385879
1,4-dibutyl-5-(1,1,2,2,2-pentachloroethyl)triazole
CID 69385511
5-(2,2-dimethylpropyl)-4-methyl-1-propyltriazole
CID 69384669
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
1-butyl-4-ethyl-5-(trifluoromethyl)triazole
CID 69383139
4-(2,2-dimethylpropyl)-1-propyl-5-(trifluoromethyl)triazole
CID 69383236

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole?
The IUPAC name of 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole (CID 69384495) is 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole.
What is the SMILES notation for 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole?
The canonical SMILES for 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole is CCCCc1c(CC(C)(C)C)nnn1CCCC.
What is the InChIKey of 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole?
The InChIKey is VXOUAXRIDXCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-8-10-14-13(12-15(3,4)5)16-17-18(14)11-9-7-2/h6-12H2,1-5H3.
What are the key properties of 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole?
1,5-dibutyl-4-(2,2-dimethylpropyl)triazole has a molecular weight of 251.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutyl-4-(2,2-dimethylpropyl)triazole is sourced from PubChem (CID 69384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).