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

C10H18N4O2 — CID 64512100

IUPAC2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nc(CN(C)C(=O)OCC(C)C)n[nH]1
InChIInChI=1S/C10H18N4O2/c1-7(2)6-16-10(15)14(4)5-9-11-8(3)12-13-9/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyJOWBEJYYPOICKH-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.34
Rot. Bonds4

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

2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (PubChem CID 64512100) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
PubChem CID64512100
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCc1nc(CN(C)C(=O)OCC(C)C)n[nH]1
InChIInChI=1S/C10H18N4O2/c1-7(2)6-16-10(15)14(4)5-9-11-8(3)12-13-9/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyJOWBEJYYPOICKH-UHFFFAOYSA-N
XLogP1.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The IUPAC name of 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (CID 64512100) is 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is Cc1nc(CN(C)C(=O)OCC(C)C)n[nH]1.
What is the InChIKey of 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The InChIKey is JOWBEJYYPOICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)6-16-10(15)14(4)5-9-11-8(3)12-13-9/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is sourced from PubChem (CID 64512100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).