ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate

C7H12N4O3 — CID 66290073

IUPACethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c(C(O)CN)n1
InChIInChI=1S/C7H12N4O3/c1-2-14-7(13)6-9-5(10-11-6)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyUSFXZMFCKMWXFP-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.03
Rot. Bonds4

About ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate

ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate (PubChem CID 66290073) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate
PubChem CID66290073
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Nameethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c(C(O)CN)n1
InChIInChI=1S/C7H12N4O3/c1-2-14-7(13)6-9-5(10-11-6)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyUSFXZMFCKMWXFP-UHFFFAOYSA-N
XLogP-1.03
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate (CID 66290073) is ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate is CCOC(=O)c1n[nH]c(C(O)CN)n1.
What is the InChIKey of ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate?
The InChIKey is USFXZMFCKMWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-2-14-7(13)6-9-5(10-11-6)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate?
ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate has a molecular weight of 200.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-1-hydroxyethyl)-1H-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 66290073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).