7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H19F3N8O — CID 90258117

IUPAC7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3CCn4cc(C(F)(F)F)nc4C3)nc21
InChIInChI=1S/C19H19F3N8O/c1-31-12-4-2-3-11-16(12)26-18(23)30-17(11)25-14(27-30)5-6-28-7-8-29-9-13(19(20,21)22)24-15(29)10-28/h2-4,9H,5-8,10H2,1H3,(H2,23,26)
InChIKeyNHAUNANHSHNVRR-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.14
Rot. Bonds4

About 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90258117) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258117
Molecular FormulaC19H19F3N8O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC Name7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3CCn4cc(C(F)(F)F)nc4C3)nc21
InChIInChI=1S/C19H19F3N8O/c1-31-12-4-2-3-11-16(12)26-18(23)30-17(11)25-14(27-30)5-6-28-7-8-29-9-13(19(20,21)22)24-15(29)10-28/h2-4,9H,5-8,10H2,1H3,(H2,23,26)
InChIKeyNHAUNANHSHNVRR-UHFFFAOYSA-N
XLogP2.14
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90258117) is 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCN3CCn4cc(C(F)(F)F)nc4C3)nc21.
What is the InChIKey of 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is NHAUNANHSHNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-31-12-4-2-3-11-16(12)26-18(23)30-17(11)25-14(27-30)5-6-28-7-8-29-9-13(19(20,21)22)24-15(29)10-28/h2-4,9H,5-8,10H2,1H3,(H2,23,26).
What are the key properties of 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 432.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90258117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).