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

C6H10N4O4 — CID 83096132

IUPAC2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCOc1n[nH]c(NC(=O)OCCO)n1
InChIInChI=1S/C6H10N4O4/c1-13-5-7-4(9-10-5)8-6(12)14-3-2-11/h11H,2-3H2,1H3,(H2,7,8,9,10,12)
InChIKeyJVBCLGFNHXDMMM-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.65
Rot. Bonds4

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

2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (PubChem CID 83096132) has the molecular formula C6H10N4O4 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
PubChem CID83096132
Molecular FormulaC6H10N4O4
Molecular Weight202.17 g/mol
Exact Mass202.07
IUPAC Name2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCOc1n[nH]c(NC(=O)OCCO)n1
InChIInChI=1S/C6H10N4O4/c1-13-5-7-4(9-10-5)8-6(12)14-3-2-11/h11H,2-3H2,1H3,(H2,7,8,9,10,12)
InChIKeyJVBCLGFNHXDMMM-UHFFFAOYSA-N
XLogP-0.65
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (CID 83096132) is 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is COc1n[nH]c(NC(=O)OCCO)n1.
What is the InChIKey of 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The InChIKey is JVBCLGFNHXDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4/c1-13-5-7-4(9-10-5)8-6(12)14-3-2-11/h11H,2-3H2,1H3,(H2,7,8,9,10,12).
What are the key properties of 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate has a molecular weight of 202.17 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is sourced from PubChem (CID 83096132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).