4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide

C14H14N6O2 — CID 58935824

IUPAC4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide
SMILESO=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1
InChIInChI=1S/C14H14N6O2/c21-12(17-14-15-6-7-16-20-14)3-1-2-9-4-5-10-11(8-9)18-19-13(10)22/h4-8H,1-3H2,(H2,18,19,22)(H,15,17,20,21)
InChIKeyKQSYFSDAVUJQTE-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.00
Rot. Bonds5

About 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide

4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 58935824) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID58935824
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide
SMILESO=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1
InChIInChI=1S/C14H14N6O2/c21-12(17-14-15-6-7-16-20-14)3-1-2-9-4-5-10-11(8-9)18-19-13(10)22/h4-8H,1-3H2,(H2,18,19,22)(H,15,17,20,21)
InChIKeyKQSYFSDAVUJQTE-UHFFFAOYSA-N
XLogP1.00
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
CID 58935896
6-[3-(1,2,4-triazin-3-ylamino)propylamino]-1,2-dihydroindazol-3-one
CID 58936066
4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
CID 114388989
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]-N-pyridin-2-ylpropanamide
CID 58935827
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
CID 58936040
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one
CID 58936061
4-(9H-carbazol-2-yl)-N-(4-hydroxyphenyl)butanamide
CID 138674364
2-(ethylamino)-N-(1,2,4-triazin-3-yl)acetamide
CID 114387856
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1,2,4-triazin-3-yl)acetamide
CID 114388829
3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
CID 114387744

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide (CID 58935824) is 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide is O=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.
What is the InChIKey of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is KQSYFSDAVUJQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-12(17-14-15-6-7-16-20-14)3-1-2-9-4-5-10-11(8-9)18-19-13(10)22/h4-8H,1-3H2,(H2,18,19,22)(H,15,17,20,21).
What are the key properties of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide?
4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 298.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 58935824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).