2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide

C7H13N5O3 — CID 66177776

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ncn(CC(=O)NCC(O)CO)n1
InChIInChI=1S/C7H13N5O3/c8-7-10-4-12(11-7)2-6(15)9-1-5(14)3-13/h4-5,13-14H,1-3H2,(H2,8,11)(H,9,15)
InChIKeyRFPQTMIZZPHUIC-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.67
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 66177776) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
PubChem CID66177776
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ncn(CC(=O)NCC(O)CO)n1
InChIInChI=1S/C7H13N5O3/c8-7-10-4-12(11-7)2-6(15)9-1-5(14)3-13/h4-5,13-14H,1-3H2,(H2,8,11)(H,9,15)
InChIKeyRFPQTMIZZPHUIC-UHFFFAOYSA-N
XLogP-2.67
TPSA126.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
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2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248179
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
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2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61242021
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-tert-butylacetamide
CID 113293105
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
CID 106233336
3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274649
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63821463
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide (CID 66177776) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide is Nc1ncn(CC(=O)NCC(O)CO)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is RFPQTMIZZPHUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c8-7-10-4-12(11-7)2-6(15)9-1-5(14)3-13/h4-5,13-14H,1-3H2,(H2,8,11)(H,9,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 215.21 g/mol, XLogP of -2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 66177776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).