(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane

C10H13N3 — CID 10487486

IUPAC(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
SMILESc1cc([C@H]2C[C@@H]3CC[C@H]2N3)cnn1
InChIInChI=1S/C10H13N3/c1-2-10-9(5-8(1)13-10)7-3-4-11-12-6-7/h3-4,6,8-10,13H,1-2,5H2/t8-,9+,10+/m0/s1
InChIKeyNVXUDSHXCARICB-IVZWLZJFSA-N
MW175.24 g/mol
LogP1.08
Rot. Bonds1

About (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane

(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane (PubChem CID 10487486) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
PubChem CID10487486
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
SMILESc1cc([C@H]2C[C@@H]3CC[C@H]2N3)cnn1
InChIInChI=1S/C10H13N3/c1-2-10-9(5-8(1)13-10)7-3-4-11-12-6-7/h3-4,6,8-10,13H,1-2,5H2/t8-,9+,10+/m0/s1
InChIKeyNVXUDSHXCARICB-IVZWLZJFSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 854023
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065
(1R,2R,4R)-2-(6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 23955938
(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
CID 10197910
5-(7-azabicyclo[2.2.1]heptan-2-yl)pyridine-2-carbonitrile
CID 89127055
(1R,2R,4S)-2-(5,6-difluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11830689
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10901613
2-[6-fluoro-5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266019
4-(2-chlorocyclopropyl)pyridazine
CID 174833240
2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266048

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane (CID 10487486) is (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane is c1cc([C@H]2C[C@@H]3CC[C@H]2N3)cnn1.
What is the InChIKey of (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane?
The InChIKey is NVXUDSHXCARICB-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-10-9(5-8(1)13-10)7-3-4-11-12-6-7/h3-4,6,8-10,13H,1-2,5H2/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane?
(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane has a molecular weight of 175.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10487486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).