7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C23H27ClN8O3 — CID 155883540

IUPAC7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(N2CC(CN)C2)n2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no1)CN2
InChIInChI=1S/C23H27ClN8O3/c1-13-20-22(33)31(12-26-32(20)23(27-13)30-8-14(7-25)9-30)10-19-28-21(29-35-19)16-6-18(34-11-16)15-2-4-17(24)5-3-15/h2-5,14,16,18,26H,6-12,25H2,1H3/t16-,18+/m0/s1
InChIKeyPLFQMKTVPPEHHL-FUHWJXTLSA-N
MW498.98 g/mol
LogP2.03
Rot. Bonds6

About 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 155883540) has the molecular formula C23H27ClN8O3 and a molecular weight of 498.98 g/mol. Its IUPAC name is 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID155883540
Molecular FormulaC23H27ClN8O3
Molecular Weight498.98 g/mol
Exact Mass498.19
IUPAC Name7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(N2CC(CN)C2)n2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no1)CN2
InChIInChI=1S/C23H27ClN8O3/c1-13-20-22(33)31(12-26-32(20)23(27-13)30-8-14(7-25)9-30)10-19-28-21(29-35-19)16-6-18(34-11-16)15-2-4-17(24)5-3-15/h2-5,14,16,18,26H,6-12,25H2,1H3/t16-,18+/m0/s1
InChIKeyPLFQMKTVPPEHHL-FUHWJXTLSA-N
XLogP2.03
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.98
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

Nedizantrep
CID 139486484
Trpa1-IN-1
CID 139486474
US10710994, Example 32
CID 139486465
US10710994, Example 76
CID 139486507
US10710994, Example 75
CID 155883537
US10710994, Example 81
CID 155883541
US10710994, Example 85
CID 155883543
US10710994, Example 90
CID 155883544
US10710994, Example 149
CID 155883562
US10710994, Example 39
CID 139486537
US10710994, Example 107
CID 155883551
US10710994, Example 55
CID 139486440

Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 155883540) is 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is Cc1nc(N2CC(CN)C2)n2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no1)CN2.
What is the InChIKey of 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is PLFQMKTVPPEHHL-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H27ClN8O3/c1-13-20-22(33)31(12-26-32(20)23(27-13)30-8-14(7-25)9-30)10-19-28-21(29-35-19)16-6-18(34-11-16)15-2-4-17(24)5-3-15/h2-5,14,16,18,26H,6-12,25H2,1H3/t16-,18+/m0/s1.
What are the key properties of 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 498.98 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155883540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).