N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate

C6H8N5O3- — CID 57349108

IUPACN-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
SMILESCCN(C(=O)[O-])C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H9N5O3/c1-2-11(6(13)14)5(12)9-4-7-3-8-10-4/h3H,2H2,1H3,(H,13,14)(H2,7,8,9,10,12)/p-1
InChIKeyYJHHJTRWXRGGKT-UHFFFAOYSA-M
MW198.16 g/mol
LogP-1.00
Rot. Bonds2

About N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate

N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate (PubChem CID 57349108) has the molecular formula C6H8N5O3- and a molecular weight of 198.16 g/mol. Its IUPAC name is N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate.

Molecular Properties

Compound NameN-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
PubChem CID57349108
Molecular FormulaC6H8N5O3-
Molecular Weight198.16 g/mol
Exact Mass198.06
IUPAC NameN-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
SMILESCCN(C(=O)[O-])C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H9N5O3/c1-2-11(6(13)14)5(12)9-4-7-3-8-10-4/h3H,2H2,1H3,(H,13,14)(H2,7,8,9,10,12)/p-1
InChIKeyYJHHJTRWXRGGKT-UHFFFAOYSA-M
XLogP-1.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate?
The IUPAC name of N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate (CID 57349108) is N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate.
What is the SMILES notation for N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate?
The canonical SMILES for N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate is CCN(C(=O)[O-])C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate?
The InChIKey is YJHHJTRWXRGGKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N5O3/c1-2-11(6(13)14)5(12)9-4-7-3-8-10-4/h3H,2H2,1H3,(H,13,14)(H2,7,8,9,10,12)/p-1.
What are the key properties of N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate?
N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate has a molecular weight of 198.16 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate is sourced from PubChem (CID 57349108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).