3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide

C5H10N6O2 — CID 106174359

IUPAC3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1n[nH]c(N)n1
InChIInChI=1S/C5H10N6O2/c6-3(13)2(12)1-8-5-9-4(7)10-11-5/h2,12H,1H2,(H2,6,13)(H4,7,8,9,10,11)
InChIKeyOPKXJPUQIPHZOZ-UHFFFAOYSA-N
MW186.18 g/mol
LogP-2.36
Rot. Bonds4

About 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide

3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide (PubChem CID 106174359) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide
PubChem CID106174359
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Name3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1n[nH]c(N)n1
InChIInChI=1S/C5H10N6O2/c6-3(13)2(12)1-8-5-9-4(7)10-11-5/h2,12H,1H2,(H2,6,13)(H4,7,8,9,10,11)
InChIKeyOPKXJPUQIPHZOZ-UHFFFAOYSA-N
XLogP-2.36
TPSA142.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-2.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide (CID 106174359) is 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1n[nH]c(N)n1.
What is the InChIKey of 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide?
The InChIKey is OPKXJPUQIPHZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O2/c6-3(13)2(12)1-8-5-9-4(7)10-11-5/h2,12H,1H2,(H2,6,13)(H4,7,8,9,10,11).
What are the key properties of 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide?
3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide has a molecular weight of 186.18 g/mol, XLogP of -2.36, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).