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

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

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Launch Full Analysis

Related Compounds

2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
Tert-butyl 3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoate
CID 56807056
tert-butyl (2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 51089581
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
methyl N-[(2S)-1-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 100087263
3-ethoxy-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118763733
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
CID 124756487
2-[cyclopentyl(methyl)amino]-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 129608788
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 164637518
2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 164638752
(2S)-2-(5-tert-butyltetrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 164639969

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).