propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate

C9H16N4O2 — CID 64512275

IUPACpropan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nc(CN(C)C(=O)OC(C)C)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-6(2)15-9(14)13(4)5-8-10-7(3)11-12-8/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyURIDOXPETNJFGW-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.09
Rot. Bonds3

About propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate

propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (PubChem CID 64512275) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
PubChem CID64512275
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namepropan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nc(CN(C)C(=O)OC(C)C)n[nH]1
InChIInChI=1S/C9H16N4O2/c1-6(2)15-9(14)13(4)5-8-10-7(3)11-12-8/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyURIDOXPETNJFGW-UHFFFAOYSA-N
XLogP1.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (CID 64512275) is propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is Cc1nc(CN(C)C(=O)OC(C)C)n[nH]1.
What is the InChIKey of propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The InChIKey is URIDOXPETNJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)15-9(14)13(4)5-8-10-7(3)11-12-8/h6H,5H2,1-4H3,(H,10,11,12).
What are the key properties of propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is sourced from PubChem (CID 64512275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).