3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

C9H11N5O — CID 28961101

IUPAC3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C9H11N5O/c1-5-13-9(15-14-5)7-2-6-8(3-10-7)12-4-11-6/h4,7,10H,2-3H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyFRHWLCYVZZFFOQ-ZETCQYMHSA-N
MW205.22 g/mol
LogP0.49
Rot. Bonds1

About 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole

3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (PubChem CID 28961101) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
PubChem CID28961101
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2Cc3nc[nH]c3CN2)n1
InChIInChI=1S/C9H11N5O/c1-5-13-9(15-14-5)7-2-6-8(3-10-7)12-4-11-6/h4,7,10H,2-3H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyFRHWLCYVZZFFOQ-ZETCQYMHSA-N
XLogP0.49
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole (CID 28961101) is 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2Cc3nc[nH]c3CN2)n1.
What is the InChIKey of 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
The InChIKey is FRHWLCYVZZFFOQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-13-9(15-14-5)7-2-6-8(3-10-7)12-4-11-6/h4,7,10H,2-3H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole?
3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole has a molecular weight of 205.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 28961101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).