4-(2-methylpropyl)-1-propyltriazole

C9H17N3 — CID 89029688

IUPAC4-(2-methylpropyl)-1-propyltriazole
SMILESCCCn1cc(CC(C)C)nn1
InChIInChI=1S/C9H17N3/c1-4-5-12-7-9(10-11-12)6-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyHEMXWYLZXXKYGC-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.89
Rot. Bonds4

About 4-(2-methylpropyl)-1-propyltriazole

4-(2-methylpropyl)-1-propyltriazole (PubChem CID 89029688) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-propyltriazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-propyltriazole
PubChem CID89029688
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-(2-methylpropyl)-1-propyltriazole
SMILESCCCn1cc(CC(C)C)nn1
InChIInChI=1S/C9H17N3/c1-4-5-12-7-9(10-11-12)6-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyHEMXWYLZXXKYGC-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
1-(3-methylbutyl)-4-propyltriazole
CID 68679793
1-(4-azidobutyl)-4-(2-methylpropyl)triazole
CID 174868893
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
CID 176586839
4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103
1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole
CID 122660041
1-[3-(3,3-dimethylbutoxy)propyl]-4-(2-methylpropyl)triazole
CID 177117041
N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
CID 155740981
1-[1-(4-methylpentyl)triazol-4-yl]propane-2-thiol
CID 178008150
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine
CID 176984725
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-propyltriazole?
The IUPAC name of 4-(2-methylpropyl)-1-propyltriazole (CID 89029688) is 4-(2-methylpropyl)-1-propyltriazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-propyltriazole?
The canonical SMILES for 4-(2-methylpropyl)-1-propyltriazole is CCCn1cc(CC(C)C)nn1.
What is the InChIKey of 4-(2-methylpropyl)-1-propyltriazole?
The InChIKey is HEMXWYLZXXKYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-5-12-7-9(10-11-12)6-8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-1-propyltriazole?
4-(2-methylpropyl)-1-propyltriazole has a molecular weight of 167.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-propyltriazole is sourced from PubChem (CID 89029688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).