3-(azetidin-3-yl)-4-methyl-1,2,4-triazole

C6H10N4 — CID 66509943

IUPAC3-(azetidin-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CNC1
InChIInChI=1S/C6H10N4/c1-10-4-8-9-6(10)5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeySHVPNNANYWBJCL-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.50
Rot. Bonds1

About 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole

3-(azetidin-3-yl)-4-methyl-1,2,4-triazole (PubChem CID 66509943) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-methyl-1,2,4-triazole
PubChem CID66509943
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3-(azetidin-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CNC1
InChIInChI=1S/C6H10N4/c1-10-4-8-9-6(10)5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeySHVPNNANYWBJCL-UHFFFAOYSA-N
XLogP-0.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole (CID 66509943) is 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole is Cn1cnnc1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole?
The InChIKey is SHVPNNANYWBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-10-4-8-9-6(10)5-2-7-3-5/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole?
3-(azetidin-3-yl)-4-methyl-1,2,4-triazole has a molecular weight of 138.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 66509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).