3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide

C9H15N5O3 — CID 133134619

IUPAC3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H15N5O3/c1-2-17-6-4-16-3-5(6)11-8(15)7-12-9(10)14-13-7/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13,14)/t5-,6-/m1/s1
InChIKeyZZSGJVSDMQBPBD-PHDIDXHHSA-N
MW241.25 g/mol
LogP-1.08
Rot. Bonds4

About 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 133134619) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID133134619
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H15N5O3/c1-2-17-6-4-16-3-5(6)11-8(15)7-12-9(10)14-13-7/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13,14)/t5-,6-/m1/s1
InChIKeyZZSGJVSDMQBPBD-PHDIDXHHSA-N
XLogP-1.08
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide (CID 133134619) is 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide is CCO[C@@H]1COC[C@H]1NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZZSGJVSDMQBPBD-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-2-17-6-4-16-3-5(6)11-8(15)7-12-9(10)14-13-7/h5-6H,2-4H2,1H3,(H,11,15)(H3,10,12,13,14)/t5-,6-/m1/s1.
What are the key properties of 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 133134619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).