2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid

C14H16N4O5 — CID 67086299

IUPAC2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c3c(nn21)CCCC3
InChIInChI=1S/C14H16N4O5/c1-17-14(23)10(13(22)15-6-9(19)20)12(21)11-7-4-2-3-5-8(7)16-18(11)17/h21H,2-6H2,1H3,(H,15,22)(H,19,20)
InChIKeyMSGMZNMVHPYWNQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.57
Rot. Bonds3

About 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid (PubChem CID 67086299) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid
PubChem CID67086299
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c3c(nn21)CCCC3
InChIInChI=1S/C14H16N4O5/c1-17-14(23)10(13(22)15-6-9(19)20)12(21)11-7-4-2-3-5-8(7)16-18(11)17/h21H,2-6H2,1H3,(H,15,22)(H,19,20)
InChIKeyMSGMZNMVHPYWNQ-UHFFFAOYSA-N
XLogP-0.57
TPSA125.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid (CID 67086299) is 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c3c(nn21)CCCC3.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid?
The InChIKey is MSGMZNMVHPYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-17-14(23)10(13(22)15-6-9(19)20)12(21)11-7-4-2-3-5-8(7)16-18(11)17/h21H,2-6H2,1H3,(H,15,22)(H,19,20).
What are the key properties of 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid has a molecular weight of 320.31 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 67086299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).