propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate

C7H12N4O3 — CID 83102321

IUPACpropan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCOc1n[nH]c(NC(=O)OC(C)C)n1
InChIInChI=1S/C7H12N4O3/c1-4(2)14-7(12)9-5-8-6(13-3)11-10-5/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKeyLUOLYSUZQJBFEF-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.77
Rot. Bonds3

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

propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (PubChem CID 83102321) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
PubChem CID83102321
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Namepropan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCOc1n[nH]c(NC(=O)OC(C)C)n1
InChIInChI=1S/C7H12N4O3/c1-4(2)14-7(12)9-5-8-6(13-3)11-10-5/h4H,1-3H3,(H2,8,9,10,11,12)
InChIKeyLUOLYSUZQJBFEF-UHFFFAOYSA-N
XLogP0.77
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The IUPAC name of propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (CID 83102321) is propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The canonical SMILES for propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is COc1n[nH]c(NC(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The InChIKey is LUOLYSUZQJBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(2)14-7(12)9-5-8-6(13-3)11-10-5/h4H,1-3H3,(H2,8,9,10,11,12).
What are the key properties of propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate has a molecular weight of 200.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is sourced from PubChem (CID 83102321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).