1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C19H29N7O — CID 95871888

IUPAC1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nn1
InChIInChI=1S/C19H29N7O/c1-14-5-6-17(21-20-14)26-9-3-4-15(12-26)19-23-22-18(24(19)2)13-25-10-7-16(27)8-11-25/h5-6,15-16,27H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyQKUCGPMNFUKKAV-HNNXBMFYSA-N
MW371.49 g/mol
LogP1.25
Rot. Bonds4

About 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 95871888) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID95871888
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nn1
InChIInChI=1S/C19H29N7O/c1-14-5-6-17(21-20-14)26-9-3-4-15(12-26)19-23-22-18(24(19)2)13-25-10-7-16(27)8-11-25/h5-6,15-16,27H,3-4,7-13H2,1-2H3/t15-/m0/s1
InChIKeyQKUCGPMNFUKKAV-HNNXBMFYSA-N
XLogP1.25
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-methyl-5-[(3R)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95896424
1-[[4-methyl-5-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146
3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 97208390
1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95870699
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740494
1-[[4-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119066132
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119068753
1-[[4-methyl-5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126434317
1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119063753
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
1-[[5-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126441447

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 95871888) is 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cc1ccc(N2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)nn1.
What is the InChIKey of 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is QKUCGPMNFUKKAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-5-6-17(21-20-14)26-9-3-4-15(12-26)19-23-22-18(24(19)2)13-25-10-7-16(27)8-11-25/h5-6,15-16,27H,3-4,7-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 371.49 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 95871888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).