3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole

C10H18N4 — CID 64610440

IUPAC3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1CC1CNC1
InChIInChI=1S/C10H18N4/c1-8(2)6-14-7-12-13-10(14)3-9-4-11-5-9/h7-9,11H,3-6H2,1-2H3
InChIKeyOQKIGTMRXWXGDN-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.70
Rot. Bonds4

About 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole

3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 64610440) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID64610440
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1CC1CNC1
InChIInChI=1S/C10H18N4/c1-8(2)6-14-7-12-13-10(14)3-9-4-11-5-9/h7-9,11H,3-6H2,1-2H3
InChIKeyOQKIGTMRXWXGDN-UHFFFAOYSA-N
XLogP0.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole (CID 64610440) is 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1CC1CNC1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is OQKIGTMRXWXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)6-14-7-12-13-10(14)3-9-4-11-5-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 64610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).