methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate

C11H19N5O3 — CID 91778668

IUPACmethyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1cnnc1CNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C11H19N5O3/c1-4-5-16-7-13-15-9(16)6-12-10(17)8(2)14-11(18)19-3/h7-8H,4-6H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyHMPGUFVKNSFPQG-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.05
Rot. Bonds6

About methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate

methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate (PubChem CID 91778668) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate
PubChem CID91778668
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Namemethyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1cnnc1CNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C11H19N5O3/c1-4-5-16-7-13-15-9(16)6-12-10(17)8(2)14-11(18)19-3/h7-8H,4-6H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyHMPGUFVKNSFPQG-UHFFFAOYSA-N
XLogP0.05
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate (CID 91778668) is methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate is CCCn1cnnc1CNC(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is HMPGUFVKNSFPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-5-16-7-13-15-9(16)6-12-10(17)8(2)14-11(18)19-3/h7-8H,4-6H2,1-3H3,(H,12,17)(H,14,18).
What are the key properties of methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate?
methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-oxo-1-[(4-propyl-1,2,4-triazol-3-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 91778668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).