N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C24H29N9O — CID 58299571

IUPACN-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nn2)CC1
InChIInChI=1S/C24H29N9O/c1-31(2)16-6-10-32(11-7-16)22-4-3-21(29-30-22)27-24-26-13-19-18-5-9-25-14-20(18)33(23(19)28-24)17-8-12-34-15-17/h3-5,9,13-14,16-17H,6-8,10-12,15H2,1-2H3,(H,26,27,28,29)/t17-/m1/s1
InChIKeyPPDIOQKFQZYJNO-QGZVFWFLSA-N
MW459.56 g/mol
LogP3.00
Rot. Bonds5

About N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299571) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299571
Molecular FormulaC24H29N9O
Molecular Weight459.56 g/mol
Exact Mass459.25
IUPAC NameN-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nn2)CC1
InChIInChI=1S/C24H29N9O/c1-31(2)16-6-10-32(11-7-16)22-4-3-21(29-30-22)27-24-26-13-19-18-5-9-25-14-20(18)33(23(19)28-24)17-8-12-34-15-17/h3-5,9,13-14,16-17H,6-8,10-12,15H2,1-2H3,(H,26,27,28,29)/t17-/m1/s1
InChIKeyPPDIOQKFQZYJNO-QGZVFWFLSA-N
XLogP3.00
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299571) is N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nn2)CC1.
What is the InChIKey of N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is PPDIOQKFQZYJNO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N9O/c1-31(2)16-6-10-32(11-7-16)22-4-3-21(29-30-22)27-24-26-13-19-18-5-9-25-14-20(18)33(23(19)28-24)17-8-12-34-15-17/h3-5,9,13-14,16-17H,6-8,10-12,15H2,1-2H3,(H,26,27,28,29)/t17-/m1/s1.
What are the key properties of N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 459.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-8-[(3R)-oxolan-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58299571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).