5-cyclobutyl-1H-1,2,4-triazole

C6H9N3 — CID 19067937

IUPAC5-cyclobutyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C6H9N3/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyGUXDCSDPNPVZOS-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.07
Rot. Bonds1

About 5-cyclobutyl-1H-1,2,4-triazole

5-cyclobutyl-1H-1,2,4-triazole (PubChem CID 19067937) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-cyclobutyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclobutyl-1H-1,2,4-triazole
PubChem CID19067937
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-cyclobutyl-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C6H9N3/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyGUXDCSDPNPVZOS-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1,2,4(1H)-triazole
CID 23891
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
s-Triazole, 3-propyl-
CID 519726
3-cyclopropyl-1H-1,2,4-triazole
CID 19608838
5-cyclobutyl-1H-1,2,4-triazol-3-amine
CID 2757984
3-tert-butyl-1H-1,2,4-triazole
CID 15745252
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-(4H-1,2,4-triazol-3-yl)piperidine
CID 57004215
3-(1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride
CID 91654460
5-butyl-1H-1,2,4-triazole
CID 558187
2-methyl-1-(4H-1,2,4-triazol-3-yl)propan-1-amine
CID 53964183
3-cyclobutyl-5-methyl-1H-1,2,4-triazole hydrochloride
CID 71756799

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclobutyl-1H-1,2,4-triazole (CID 19067937) is 5-cyclobutyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclobutyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclobutyl-1H-1,2,4-triazole is c1n[nH]c(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-1H-1,2,4-triazole?
The InChIKey is GUXDCSDPNPVZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of 5-cyclobutyl-1H-1,2,4-triazole?
5-cyclobutyl-1H-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1H-1,2,4-triazole is sourced from PubChem (CID 19067937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).