4,4,5,5-tetramethyl-1-propyltriazole

C9H19N3 — CID 151986246

IUPAC4,4,5,5-tetramethyl-1-propyltriazole
SMILESCCCN1N=NC(C)(C)C1(C)C
InChIInChI=1S/C9H19N3/c1-6-7-12-9(4,5)8(2,3)10-11-12/h6-7H2,1-5H3
InChIKeyUDSDUDJCLNKTBW-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.64
Rot. Bonds2

About 4,4,5,5-tetramethyl-1-propyltriazole

4,4,5,5-tetramethyl-1-propyltriazole (PubChem CID 151986246) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1-propyltriazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-1-propyltriazole
PubChem CID151986246
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4,4,5,5-tetramethyl-1-propyltriazole
SMILESCCCN1N=NC(C)(C)C1(C)C
InChIInChI=1S/C9H19N3/c1-6-7-12-9(4,5)8(2,3)10-11-12/h6-7H2,1-5H3
InChIKeyUDSDUDJCLNKTBW-UHFFFAOYSA-N
XLogP2.64
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
1-butyl-2,2,3,3-tetramethylaziridine
CID 18717625
4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxazolidine
CID 174081130
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
(3R)-3-methyl-1-[2-[(3S)-3-methyl-3-propyldiaziridin-1-yl]ethyl]-3-propyldiaziridine
CID 90073858
argon;butane
CID 157343960
4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961225
CID 68545456
CID 68545456
4-[(4S)-4-methyl-2,5-dioxo-1-propylimidazolidin-4-yl]benzonitrile
CID 40972073
1-(7-iodoheptyl)-5-methyl-5-propyl-4H-triazole
CID 130281224
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
CID 114835184

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-1-propyltriazole?
The IUPAC name of 4,4,5,5-tetramethyl-1-propyltriazole (CID 151986246) is 4,4,5,5-tetramethyl-1-propyltriazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-1-propyltriazole?
The canonical SMILES for 4,4,5,5-tetramethyl-1-propyltriazole is CCCN1N=NC(C)(C)C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-1-propyltriazole?
The InChIKey is UDSDUDJCLNKTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-7-12-9(4,5)8(2,3)10-11-12/h6-7H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-1-propyltriazole?
4,4,5,5-tetramethyl-1-propyltriazole has a molecular weight of 169.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-1-propyltriazole is sourced from PubChem (CID 151986246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).