ethane;5-methyl-1-propyltriazole

C8H17N3 — CID 164526823

IUPACethane;5-methyl-1-propyltriazole
SMILESCC.CCCn1nncc1C
InChIInChI=1S/C6H11N3.C2H6/c1-3-4-9-6(2)5-7-8-9;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyKKNJSVFDLGWZFP-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.02
Rot. Bonds2

About ethane;5-methyl-1-propyltriazole

ethane;5-methyl-1-propyltriazole (PubChem CID 164526823) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;5-methyl-1-propyltriazole.

Molecular Properties

Compound Nameethane;5-methyl-1-propyltriazole
PubChem CID164526823
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameethane;5-methyl-1-propyltriazole
SMILESCC.CCCn1nncc1C
InChIInChI=1S/C6H11N3.C2H6/c1-3-4-9-6(2)5-7-8-9;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyKKNJSVFDLGWZFP-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-pent-4-ynyltriazole
CID 130473250
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
1-propyl-5-pyrrolidin-1-yltriazole
CID 130557576
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
4-(3-propyltriazol-4-yl)aniline
CID 82205210
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
4-chloro-2-ethyl-5-methyl-6-(3-propyltriazol-4-yl)pyrimidine
CID 114690776
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
3-chloro-4,5-dimethyl-6-(3-propyltriazol-4-yl)pyridazine
CID 114690815

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-propyltriazole?
The IUPAC name of ethane;5-methyl-1-propyltriazole (CID 164526823) is ethane;5-methyl-1-propyltriazole.
What is the SMILES notation for ethane;5-methyl-1-propyltriazole?
The canonical SMILES for ethane;5-methyl-1-propyltriazole is CC.CCCn1nncc1C.
What is the InChIKey of ethane;5-methyl-1-propyltriazole?
The InChIKey is KKNJSVFDLGWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C2H6/c1-3-4-9-6(2)5-7-8-9;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-propyltriazole?
ethane;5-methyl-1-propyltriazole has a molecular weight of 155.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-propyltriazole is sourced from PubChem (CID 164526823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).