3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide

C8H13N5O2 — CID 82738033

IUPAC3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1nc(N)n[nH]1)C1CCOC1
InChIInChI=1S/C8H13N5O2/c1-13(5-2-3-15-4-5)7(14)6-10-8(9)12-11-6/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyOQCSYTSSNKZFIU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.75
Rot. Bonds2

About 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 82738033) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID82738033
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1nc(N)n[nH]1)C1CCOC1
InChIInChI=1S/C8H13N5O2/c1-13(5-2-3-15-4-5)7(14)6-10-8(9)12-11-6/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyOQCSYTSSNKZFIU-UHFFFAOYSA-N
XLogP-0.75
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
3-amino-N-(2-hydroxycyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 102632028
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892962
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671944
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075730
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide (CID 82738033) is 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide is CN(C(=O)c1nc(N)n[nH]1)C1CCOC1.
What is the InChIKey of 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OQCSYTSSNKZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13(5-2-3-15-4-5)7(14)6-10-8(9)12-11-6/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 82738033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).