4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole

C14H28N6 — CID 158259702

IUPAC4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
SMILESC.CCCCc1cn(C)nn1.CCCc1cn(C)nn1
InChIInChI=1S/C7H13N3.C6H11N3.CH4/c1-3-4-5-7-6-10(2)9-8-7;1-3-4-6-5-9(2)8-7-6;/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;1H4
InChIKeyGHSOMHIUZVUBDE-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.56
Rot. Bonds5

About 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole

4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole (PubChem CID 158259702) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole.

Molecular Properties

Compound Name4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
PubChem CID158259702
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
SMILESC.CCCCc1cn(C)nn1.CCCc1cn(C)nn1
InChIInChI=1S/C7H13N3.C6H11N3.CH4/c1-3-4-5-7-6-10(2)9-8-7;1-3-4-6-5-9(2)8-7-6;/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;1H4
InChIKeyGHSOMHIUZVUBDE-UHFFFAOYSA-N
XLogP2.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-methyl-4-propyltriazole
CID 168923376
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
4-butyl-1-hydroxytriazole
CID 70078176
1-methyl-4-pent-4-ynyltriazole
CID 58281228
4-(4-bromohexyl)-1-methyltriazole
CID 107055099
ethane;4-ethyl-1-methyltriazole
CID 143593274
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
1-methyl-4-(9-methyldec-7-ynyl)triazole
CID 155740061
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole?
The IUPAC name of 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole (CID 158259702) is 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole.
What is the SMILES notation for 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole?
The canonical SMILES for 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole is C.CCCCc1cn(C)nn1.CCCc1cn(C)nn1.
What is the InChIKey of 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole?
The InChIKey is GHSOMHIUZVUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C6H11N3.CH4/c1-3-4-5-7-6-10(2)9-8-7;1-3-4-6-5-9(2)8-7-6;/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;1H4.
What are the key properties of 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole?
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole has a molecular weight of 280.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole is sourced from PubChem (CID 158259702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).