(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide

C11H13F3N4O2 — CID 171493298

IUPAC(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
SMILESC[C@H](N)C(=O)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c1-4(15)9(19)16-6-3-2-5-7(11(12,13)14)10(20)18-17-8(5)6/h4,6H,2-3,15H2,1H3,(H,16,19)(H,18,20)/t4-,6?/m0/s1
InChIKeySKFYVRWYTLAAPI-VKZKZBKNSA-N
MW290.25 g/mol
LogP0.24
Rot. Bonds2

About (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide

(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide (PubChem CID 171493298) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
PubChem CID171493298
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide
SMILESC[C@H](N)C(=O)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c1-4(15)9(19)16-6-3-2-5-7(11(12,13)14)10(20)18-17-8(5)6/h4,6H,2-3,15H2,1H3,(H,16,19)(H,18,20)/t4-,6?/m0/s1
InChIKeySKFYVRWYTLAAPI-VKZKZBKNSA-N
XLogP0.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide (CID 171493298) is (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide is C[C@H](N)C(=O)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide?
The InChIKey is SKFYVRWYTLAAPI-VKZKZBKNSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-4(15)9(19)16-6-3-2-5-7(11(12,13)14)10(20)18-17-8(5)6/h4,6H,2-3,15H2,1H3,(H,16,19)(H,18,20)/t4-,6?/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide?
(2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide has a molecular weight of 290.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]propanamide is sourced from PubChem (CID 171493298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).