N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C10H13N5O — CID 18712276

IUPACN-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCNC(=O)c1nnc2cc(C)nn2c1C
InChIInChI=1S/C10H13N5O/c1-4-11-10(16)9-7(3)15-8(12-13-9)5-6(2)14-15/h5H,4H2,1-3H3,(H,11,16)
InChIKeyYSUGBOFJKAYFMS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.49
Rot. Bonds2

About N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 18712276) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID18712276
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCNC(=O)c1nnc2cc(C)nn2c1C
InChIInChI=1S/C10H13N5O/c1-4-11-10(16)9-7(3)15-8(12-13-9)5-6(2)14-15/h5H,4H2,1-3H3,(H,11,16)
InChIKeyYSUGBOFJKAYFMS-UHFFFAOYSA-N
XLogP0.49
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 18712276) is N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCNC(=O)c1nnc2cc(C)nn2c1C.
What is the InChIKey of N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is YSUGBOFJKAYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-4-11-10(16)9-7(3)15-8(12-13-9)5-6(2)14-15/h5H,4H2,1-3H3,(H,11,16).
What are the key properties of N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 18712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).