1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole

C10H18N4 — CID 79451653

IUPAC1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole
SMILESCC(C)C1(Cc2ncnn2C)CNC1
InChIInChI=1S/C10H18N4/c1-8(2)10(5-11-6-10)4-9-12-7-13-14(9)3/h7-8,11H,4-6H2,1-3H3
InChIKeySVXORHFEHXKERS-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.60
Rot. Bonds3

About 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole

1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole (PubChem CID 79451653) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole
PubChem CID79451653
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole
SMILESCC(C)C1(Cc2ncnn2C)CNC1
InChIInChI=1S/C10H18N4/c1-8(2)10(5-11-6-10)4-9-12-7-13-14(9)3/h7-8,11H,4-6H2,1-3H3
InChIKeySVXORHFEHXKERS-UHFFFAOYSA-N
XLogP0.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole (CID 79451653) is 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole is CC(C)C1(Cc2ncnn2C)CNC1.
What is the InChIKey of 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole?
The InChIKey is SVXORHFEHXKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)10(5-11-6-10)4-9-12-7-13-14(9)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole?
1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-propan-2-ylazetidin-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 79451653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).