[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

C17H24N8O2 — CID 72892915

IUPAC[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2
InChIInChI=1S/C17H24N8O2/c26-17(15-7-18-20-16(15)25-11-19-21-22-25)24-9-12-1-2-14(24)10-23(8-12)13-3-5-27-6-4-13/h7,11-14H,1-6,8-10H2,(H,18,20)/t12-,14+/m0/s1
InChIKeyIUEMHLTYBUUURR-GXTWGEPZSA-N
MW372.43 g/mol
LogP0.10
Rot. Bonds3

About [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 72892915) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
PubChem CID72892915
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2
InChIInChI=1S/C17H24N8O2/c26-17(15-7-18-20-16(15)25-11-19-21-22-25)24-9-12-1-2-14(24)10-23(8-12)13-3-5-27-6-4-13/h7,11-14H,1-6,8-10H2,(H,18,20)/t12-,14+/m0/s1
InChIKeyIUEMHLTYBUUURR-GXTWGEPZSA-N
XLogP0.10
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

[1-(difluoromethyl)pyrazol-3-yl]-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72861159
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70758827
(5-methyl-1,2-oxazol-3-yl)-[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133126114
1H-indol-6-yl-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72874935
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95867712
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
CID 169416219
1-[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyrazin-2-ylethanone
CID 72887049
[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 99962130
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91787581
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 45210321

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (CID 72892915) is [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-n1cnnn1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2.
What is the InChIKey of [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is IUEMHLTYBUUURR-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N8O2/c26-17(15-7-18-20-16(15)25-11-19-21-22-25)24-9-12-1-2-14(24)10-23(8-12)13-3-5-27-6-4-13/h7,11-14H,1-6,8-10H2,(H,18,20)/t12-,14+/m0/s1.
What are the key properties of [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 72892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).