6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide

C16H21N7O — CID 167777555

IUPAC6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H21N7O/c24-16(19-12-2-1-11-10-18-20-14(11)9-12)13-3-4-15(22-21-13)23-7-5-17-6-8-23/h3-4,10,12,17H,1-2,5-9H2,(H,18,20)(H,19,24)
InChIKeyPMARUVAFVBMIOS-UHFFFAOYSA-N
MW327.39 g/mol
LogP-0.10
Rot. Bonds3

About 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide

6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide (PubChem CID 167777555) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide
PubChem CID167777555
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C16H21N7O/c24-16(19-12-2-1-11-10-18-20-14(11)9-12)13-3-4-15(22-21-13)23-7-5-17-6-8-23/h3-4,10,12,17H,1-2,5-9H2,(H,18,20)(H,19,24)
InChIKeyPMARUVAFVBMIOS-UHFFFAOYSA-N
XLogP-0.10
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide (CID 167777555) is 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide is O=C(NC1CCc2cn[nH]c2C1)c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide?
The InChIKey is PMARUVAFVBMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c24-16(19-12-2-1-11-10-18-20-14(11)9-12)13-3-4-15(22-21-13)23-7-5-17-6-8-23/h3-4,10,12,17H,1-2,5-9H2,(H,18,20)(H,19,24).
What are the key properties of 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide?
6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 167777555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).