1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole

C10H17N3 — CID 88974515

IUPAC1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1ncnn1CC1CCC1
InChIInChI=1S/C10H17N3/c1-2-4-10-11-8-12-13(10)7-9-5-3-6-9/h8-9H,2-7H2,1H3
InChIKeyWSISYSUAXAANHK-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.03
Rot. Bonds4

About 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole

1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole (PubChem CID 88974515) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole
PubChem CID88974515
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole
SMILESCCCc1ncnn1CC1CCC1
InChIInChI=1S/C10H17N3/c1-2-4-10-11-8-12-13(10)7-9-5-3-6-9/h8-9H,2-7H2,1H3
InChIKeyWSISYSUAXAANHK-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole (CID 88974515) is 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole is CCCc1ncnn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole?
The InChIKey is WSISYSUAXAANHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-10-11-8-12-13(10)7-9-5-3-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole?
1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 88974515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).