5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide

C15H14N8O — CID 133406988

IUPAC5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
SMILESCCc1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n2ncnc2n1
InChIInChI=1S/C15H14N8O/c1-2-8-6-12(23-15(20-8)17-7-18-23)19-9-3-4-11-10(5-9)13(14(16)24)22-21-11/h3-7,19H,2H2,1H3,(H2,16,24)(H,21,22)
InChIKeyYNKKTNIRGFLATN-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.41
Rot. Bonds4

About 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide

5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide (PubChem CID 133406988) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
PubChem CID133406988
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
SMILESCCc1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n2ncnc2n1
InChIInChI=1S/C15H14N8O/c1-2-8-6-12(23-15(20-8)17-7-18-23)19-9-3-4-11-10(5-9)13(14(16)24)22-21-11/h3-7,19H,2H2,1H3,(H2,16,24)(H,21,22)
InChIKeyYNKKTNIRGFLATN-UHFFFAOYSA-N
XLogP1.41
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide (CID 133406988) is 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide is CCc1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n2ncnc2n1.
What is the InChIKey of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide?
The InChIKey is YNKKTNIRGFLATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-2-8-6-12(23-15(20-8)17-7-18-23)19-9-3-4-11-10(5-9)13(14(16)24)22-21-11/h3-7,19H,2H2,1H3,(H2,16,24)(H,21,22).
What are the key properties of 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide?
5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 133406988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).